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Main /
SulfurS:PVDZ-X2C recontracted with X2C
3
0 1 2 3 4 5 6 7
4 3 1 0 0 0 0 0
12 8 1 0 0 0 0 0
110800.00000000 16610.00000000 3781.00000000 1071.00000000 349.80000000
126.30000000 49.26000000 20.16000000 5.72000000 2.18200000
0.43270000 0.15700000
0.00060344 0.00016829 0.00004882 0.00000000
0.00273460 0.00075907 0.00022070 0.00000000
0.01147871 0.00324882 0.00094100 0.00000000
0.04248872 0.01198866 0.00350253 0.00000000
0.13112085 0.04001101 0.01162541 0.00000000
0.30461472 0.10057132 0.02998666 0.00000000
0.41930993 0.20017030 0.06006253 0.00000000
0.22826796 0.11884297 0.03997731 0.00000000
0.01764219 -0.51854580 -0.21089211 0.00000000
-0.00292949 -0.60096134 -0.38849434 0.00000000
0.00083652 -0.03868933 0.63895214 0.00000000
-0.00036241 0.00922696 0.55063748 1.00000000
399.70000000 94.19000000 29.75000000 10.77000000 4.11900000
1.62500000 0.47260000 0.14070000
0.00479129 0.00124398 0.00000000
0.03479362 0.00882120 0.00000000
0.14516591 0.03934419 0.00000000
0.35422028 0.09351327 0.00000000
0.45842121 0.14776599 0.00000000
0.20581604 -0.03084703 0.00000000
0.01021991 -0.56162015 0.00000000
-0.00005660 -0.53441022 1.00000000
0.47900000
1.00000000
S:PV(D+d)Z-X2C recontracted with X2C
3
0 1 2 3 4 5 6 7
4 3 2 0 0 0 0 0
12 8 2 0 0 0 0 0
110800.00000000 16610.00000000 3781.00000000 1071.00000000 349.80000000
126.30000000 49.26000000 20.16000000 5.72000000 2.18200000
0.43270000 0.15700000
0.00060344 0.00016829 0.00004882 0.00000000
0.00273460 0.00075907 0.00022070 0.00000000
0.01147871 0.00324882 0.00094100 0.00000000
0.04248872 0.01198866 0.00350253 0.00000000
0.13112085 0.04001101 0.01162541 0.00000000
0.30461472 0.10057132 0.02998666 0.00000000
0.41930993 0.20017030 0.06006253 0.00000000
0.22826796 0.11884297 0.03997731 0.00000000
0.01764219 -0.51854580 -0.21089211 0.00000000
-0.00292949 -0.60096134 -0.38849434 0.00000000
0.00083652 -0.03868933 0.63895214 0.00000000
-0.00036241 0.00922696 0.55063748 1.00000000
399.70000000 94.19000000 29.75000000 10.77000000 4.11900000
1.62500000 0.47260000 0.14070000
0.00479129 0.00124398 0.00000000
0.03479362 0.00882120 0.00000000
0.14516591 0.03934419 0.00000000
0.35422028 0.09351327 0.00000000
0.45842121 0.14776599 0.00000000
0.20581604 -0.03084703 0.00000000
0.01021991 -0.56162015 0.00000000
-0.00005660 -0.53441022 1.00000000
2.5060000 0.3740000
1.00000000 0.00000000
0.00000000 1.00000000
S:APVDZ-X2C recontracted with X2C
3
0 1 2 3 4 5 6 7
5 4 2 0 0 0 0 0
13 9 2 0 0 0 0 0
110800.00000000 16610.00000000 3781.00000000 1071.00000000 349.80000000
126.30000000 49.26000000 20.16000000 5.72000000 2.18200000
0.43270000 0.15700000 0.0507000
0.00060344 0.00016829 0.00004882 0.00000000 0.00000000
0.00273460 0.00075907 0.00022070 0.00000000 0.00000000
0.01147871 0.00324882 0.00094100 0.00000000 0.00000000
0.04248872 0.01198866 0.00350253 0.00000000 0.00000000
0.13112085 0.04001101 0.01162541 0.00000000 0.00000000
0.30461472 0.10057132 0.02998666 0.00000000 0.00000000
0.41930993 0.20017030 0.06006253 0.00000000 0.00000000
0.22826796 0.11884297 0.03997731 0.00000000 0.00000000
0.01764219 -0.51854580 -0.21089211 0.00000000 0.00000000
-0.00292949 -0.60096134 -0.38849434 0.00000000 0.00000000
0.00083652 -0.03868933 0.63895214 0.00000000 0.00000000
-0.00036241 0.00922696 0.55063748 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
399.70000000 94.19000000 29.75000000 10.77000000 4.11900000
1.62500000 0.47260000 0.14070000 0.0399000
0.00479129 0.00124398 0.00000000 0.00000000
0.03479362 0.00882120 0.00000000 0.00000000
0.14516591 0.03934419 0.00000000 0.00000000
0.35422028 0.09351327 0.00000000 0.00000000
0.45842121 0.14776599 0.00000000 0.00000000
0.20581604 -0.03084703 0.00000000 0.00000000
0.01021991 -0.56162015 0.00000000 0.00000000
-0.00005660 -0.53441022 1.00000000 0.00000000
0.00000000 1.00000000
0.47900000 0.1520000
1.00000000 0.00000000
0.00000000 1.00000000
S:APV(D+d)Z-X2C recontracted with X2C
3
0 1 2 3 4 5 6 7
5 4 3 0 0 0 0 0
13 9 3 0 0 0 0 0
110800.00000000 16610.00000000 3781.00000000 1071.00000000 349.80000000
126.30000000 49.26000000 20.16000000 5.72000000 2.18200000
0.43270000 0.15700000 0.0507000
0.00060344 0.00016829 0.00004882 0.00000000 0.00000000
0.00273460 0.00075907 0.00022070 0.00000000 0.00000000
0.01147871 0.00324882 0.00094100 0.00000000 0.00000000
0.04248872 0.01198866 0.00350253 0.00000000 0.00000000
0.13112085 0.04001101 0.01162541 0.00000000 0.00000000
0.30461472 0.10057132 0.02998666 0.00000000 0.00000000
0.41930993 0.20017030 0.06006253 0.00000000 0.00000000
0.22826796 0.11884297 0.03997731 0.00000000 0.00000000
0.01764219 -0.51854580 -0.21089211 0.00000000 0.00000000
-0.00292949 -0.60096134 -0.38849434 0.00000000 0.00000000
0.00083652 -0.03868933 0.63895214 0.00000000 0.00000000
-0.00036241 0.00922696 0.55063748 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
399.70000000 94.19000000 29.75000000 10.77000000 4.11900000
1.62500000 0.47260000 0.14070000 0.0399000
0.00479129 0.00124398 0.00000000 0.00000000
0.03479362 0.00882120 0.00000000 0.00000000
0.14516591 0.03934419 0.00000000 0.00000000
0.35422028 0.09351327 0.00000000 0.00000000
0.45842121 0.14776599 0.00000000 0.00000000
0.20581604 -0.03084703 0.00000000 0.00000000
0.01021991 -0.56162015 0.00000000 0.00000000
-0.00005660 -0.53441022 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
2.5060000 0.3740000 0.1160000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
S:PCVDZ-X2C recontracted with X2C
3
0 1 2 3 4 5 6 7
5 4 2 0 0 0 0 0
13 9 2 0 0 0 0 0
110800.00000000 16610.00000000 3781.00000000 1071.00000000 349.80000000
126.30000000 49.26000000 20.16000000 5.72000000 2.18200000
0.43270000 0.15700000 7.0830000
0.00060344 0.00016829 0.00004882 0.00000000 0.00000000
0.00273460 0.00075907 0.00022070 0.00000000 0.00000000
0.01147871 0.00324882 0.00094100 0.00000000 0.00000000
0.04248872 0.01198866 0.00350253 0.00000000 0.00000000
0.13112085 0.04001101 0.01162541 0.00000000 0.00000000
0.30461472 0.10057132 0.02998666 0.00000000 0.00000000
0.41930993 0.20017030 0.06006253 0.00000000 0.00000000
0.22826796 0.11884297 0.03997731 0.00000000 0.00000000
0.01764219 -0.51854580 -0.21089211 0.00000000 0.00000000
-0.00292949 -0.60096134 -0.38849434 0.00000000 0.00000000
0.00083652 -0.03868933 0.63895214 0.00000000 0.00000000
-0.00036241 0.00922696 0.55063748 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
399.70000000 94.19000000 29.75000000 10.77000000 4.11900000
1.62500000 0.47260000 0.14070000 3.0890000
0.00479129 0.00124398 0.00000000 0.00000000
0.03479362 0.00882120 0.00000000 0.00000000
0.14516591 0.03934419 0.00000000 0.00000000
0.35422028 0.09351327 0.00000000 0.00000000
0.45842121 0.14776599 0.00000000 0.00000000
0.20581604 -0.03084703 0.00000000 0.00000000
0.01021991 -0.56162015 0.00000000 0.00000000
-0.00005660 -0.53441022 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
0.47900000 8.3630000
1.00000000 0.00000000
0.00000000 1.00000000
S:APCVDZ-X2C recontracted with X2C
3
0 1 2 3 4 5 6 7
6 5 3 0 0 0 0 0
14 10 3 0 0 0 0 0
110800.00000000 16610.00000000 3781.00000000 1071.00000000 349.80000000
126.30000000 49.26000000 20.16000000 5.72000000 2.18200000
0.43270000 0.15700000 7.0830000 0.0507000
0.00060344 0.00016829 0.00004882 0.00000000 0.00000000 0.00000000
0.00273460 0.00075907 0.00022070 0.00000000 0.00000000 0.00000000
0.01147871 0.00324882 0.00094100 0.00000000 0.00000000 0.00000000
0.04248872 0.01198866 0.00350253 0.00000000 0.00000000 0.00000000
0.13112085 0.04001101 0.01162541 0.00000000 0.00000000 0.00000000
0.30461472 0.10057132 0.02998666 0.00000000 0.00000000 0.00000000
0.41930993 0.20017030 0.06006253 0.00000000 0.00000000 0.00000000
0.22826796 0.11884297 0.03997731 0.00000000 0.00000000 0.00000000
0.01764219 -0.51854580 -0.21089211 0.00000000 0.00000000 0.00000000
-0.00292949 -0.60096134 -0.38849434 0.00000000 0.00000000 0.00000000
0.00083652 -0.03868933 0.63895214 0.00000000 0.00000000 0.00000000
-0.00036241 0.00922696 0.55063748 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
399.70000000 94.19000000 29.75000000 10.77000000 4.11900000
1.62500000 0.47260000 0.14070000 3.0890000 0.0399000
0.00479129 0.00124398 0.00000000 0.00000000 0.00000000
0.03479362 0.00882120 0.00000000 0.00000000 0.00000000
0.14516591 0.03934419 0.00000000 0.00000000 0.00000000
0.35422028 0.09351327 0.00000000 0.00000000 0.00000000
0.45842121 0.14776599 0.00000000 0.00000000 0.00000000
0.20581604 -0.03084703 0.00000000 0.00000000 0.00000000
0.01021991 -0.56162015 0.00000000 0.00000000 0.00000000
-0.00005660 -0.53441022 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.47900000 8.3630000 0.1520000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
S:PVTZ-X2C recontracted with X2C
4
0 1 2 3 4 5 6 7
5 4 2 1 0 0 0 0
15 9 2 1 0 0 0 0
374100.00000000 56050.00000000 12760.00000000 3615.00000000 1183.00000000
428.80000000 167.80000000 69.47000000 29.84000000 12.72000000
5.24400000 2.21900000 0.77670000 0.34900000 0.13220000
0.00020709 0.00005763 0.00001674 0.00000000 0.00000000
0.00079933 0.00022253 0.00006462 0.00000000 0.00000000
0.00300969 0.00084081 0.00024435 0.00000000 0.00000000
0.01053215 0.00295296 0.00085770 0.00000000 0.00000000
0.03402399 0.00971558 0.00283010 0.00000000 0.00000000
0.09693595 0.02862719 0.00835112 0.00000000 0.00000000
0.22526762 0.07312329 0.02156508 0.00000000 0.00000000
0.37355387 0.14709720 0.04407257 0.00000000 0.00000000
0.32628376 0.19357062 0.06074125 0.00000000 0.00000000
0.08360920 -0.01283241 -0.00517327 0.00000000 0.00000000
0.00044328 -0.51947848 -0.20668839 0.00000000 0.00000000
0.00162117 -0.53753822 -0.37965620 0.00000000 0.00000000
-0.00061082 -0.06704321 0.08847540 1.00000000 0.00000000
0.00029536 0.00884284 0.71404941 0.00000000 0.00000000
-0.00008255 -0.00218074 0.38958675 0.00000000 1.00000000
574.40000000 135.80000000 43.19000000 15.87000000 6.20800000
2.48300000 0.86880000 0.32290000 0.10980000
0.00265554 0.00067982 0.0 0.0
0.01976089 0.00506504 0.0 0.0
0.08938342 0.02349031 0.0 0.0
0.25525446 0.06868443 0.0 0.0
0.43372489 0.12374304 0.0 0.0
0.35412323 0.09656472 0.0 0.0
0.06174817 -0.22899107 1.0 0.0
-0.00501664 -0.56854877 0.0 0.0
0.00210261 -0.36653291 0.0 1.0
0.26900000 0.81900000
1.00000000 0.00000000
0.00000000 1.00000000
0.55700000
1.00000000
S:PV(T+d)Z-X2C recontracted with X2C
4
0 1 2 3 4 5 6 7
5 4 3 1 0 0 0 0
15 9 3 1 0 0 0 0
374100.00000000 56050.00000000 12760.00000000 3615.00000000 1183.00000000
428.80000000 167.80000000 69.47000000 29.84000000 12.72000000
5.24400000 2.21900000 0.77670000 0.34900000 0.13220000
0.00020709 0.00005763 0.00001674 0.00000000 0.00000000
0.00079933 0.00022253 0.00006462 0.00000000 0.00000000
0.00300969 0.00084081 0.00024435 0.00000000 0.00000000
0.01053215 0.00295296 0.00085770 0.00000000 0.00000000
0.03402399 0.00971558 0.00283010 0.00000000 0.00000000
0.09693595 0.02862719 0.00835112 0.00000000 0.00000000
0.22526762 0.07312329 0.02156508 0.00000000 0.00000000
0.37355387 0.14709720 0.04407257 0.00000000 0.00000000
0.32628376 0.19357062 0.06074125 0.00000000 0.00000000
0.08360920 -0.01283241 -0.00517327 0.00000000 0.00000000
0.00044328 -0.51947848 -0.20668839 0.00000000 0.00000000
0.00162117 -0.53753822 -0.37965620 0.00000000 0.00000000
-0.00061082 -0.06704321 0.08847540 1.00000000 0.00000000
0.00029536 0.00884284 0.71404941 0.00000000 0.00000000
-0.00008255 -0.00218074 0.38958675 0.00000000 1.00000000
574.40000000 135.80000000 43.19000000 15.87000000 6.20800000
2.48300000 0.86880000 0.32290000 0.10980000
0.00265554 0.00067982 0.00000000 0.00000000
0.01976089 0.00506504 0.00000000 0.00000000
0.08938342 0.02349031 0.00000000 0.00000000
0.25525446 0.06868443 0.00000000 0.00000000
0.43372489 0.12374304 0.00000000 0.00000000
0.35412323 0.09656472 0.00000000 0.00000000
0.06174817 -0.22899107 1.00000000 0.00000000
-0.00501664 -0.56854877 0.00000000 0.00000000
0.00210261 -0.36653291 0.00000000 1.00000000
3.1200000 0.6480000 0.2180000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
0.55700000
1.00000000
S:APVTZ-X2C recontracted with X2C
4
0 1 2 3 4 5 6 7
6 5 3 2 0 0 0 0
16 10 3 2 0 0 0 0
374100.00000000 56050.00000000 12760.00000000 3615.00000000 1183.00000000
428.80000000 167.80000000 69.47000000 29.84000000 12.72000000
5.24400000 2.21900000 0.77670000 0.34900000 0.13220000
0.0497000
0.00020709 0.00005763 0.00001674 0.00000000 0.00000000 0.00000000
0.00079933 0.00022253 0.00006462 0.00000000 0.00000000 0.00000000
0.00300969 0.00084081 0.00024435 0.00000000 0.00000000 0.00000000
0.01053215 0.00295296 0.00085770 0.00000000 0.00000000 0.00000000
0.03402399 0.00971558 0.00283010 0.00000000 0.00000000 0.00000000
0.09693595 0.02862719 0.00835112 0.00000000 0.00000000 0.00000000
0.22526762 0.07312329 0.02156508 0.00000000 0.00000000 0.00000000
0.37355387 0.14709720 0.04407257 0.00000000 0.00000000 0.00000000
0.32628376 0.19357062 0.06074125 0.00000000 0.00000000 0.00000000
0.08360920 -0.01283241 -0.00517327 0.00000000 0.00000000 0.00000000
0.00044328 -0.51947848 -0.20668839 0.00000000 0.00000000 0.00000000
0.00162117 -0.53753822 -0.37965620 0.00000000 0.00000000 0.00000000
-0.00061082 -0.06704321 0.08847540 1.00000000 0.00000000 0.00000000
0.00029536 0.00884284 0.71404941 0.00000000 0.00000000 0.00000000
-0.00008255 -0.00218074 0.38958675 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
574.40000000 135.80000000 43.19000000 15.87000000 6.20800000
2.48300000 0.86880000 0.32290000 0.10980000 0.0351000
0.00265554 0.00067982 0.00000000 0.00000000 0.00000000
0.01976089 0.00506504 0.00000000 0.00000000 0.00000000
0.08938342 0.02349031 0.00000000 0.00000000 0.00000000
0.25525446 0.06868443 0.00000000 0.00000000 0.00000000
0.43372489 0.12374304 0.00000000 0.00000000 0.00000000
0.35412323 0.09656472 0.00000000 0.00000000 0.00000000
0.06174817 -0.22899107 1.00000000 0.00000000 0.00000000
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0.00210261 -0.36653291 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.26900000 0.81900000 0.1010000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
0.55700000 0.2180000
1.00000000 0.00000000
0.00000000 1.00000000
S:APV(T+d)Z-X2C recontracted with X2C
4
0 1 2 3 4 5 6 7
6 5 4 2 0 0 0 0
16 10 4 2 0 0 0 0
374100.00000000 56050.00000000 12760.00000000 3615.00000000 1183.00000000
428.80000000 167.80000000 69.47000000 29.84000000 12.72000000
5.24400000 2.21900000 0.77670000 0.34900000 0.13220000
0.0497000
0.00020709 0.00005763 0.00001674 0.00000000 0.00000000 0.00000000
0.00079933 0.00022253 0.00006462 0.00000000 0.00000000 0.00000000
0.00300969 0.00084081 0.00024435 0.00000000 0.00000000 0.00000000
0.01053215 0.00295296 0.00085770 0.00000000 0.00000000 0.00000000
0.03402399 0.00971558 0.00283010 0.00000000 0.00000000 0.00000000
0.09693595 0.02862719 0.00835112 0.00000000 0.00000000 0.00000000
0.22526762 0.07312329 0.02156508 0.00000000 0.00000000 0.00000000
0.37355387 0.14709720 0.04407257 0.00000000 0.00000000 0.00000000
0.32628376 0.19357062 0.06074125 0.00000000 0.00000000 0.00000000
0.08360920 -0.01283241 -0.00517327 0.00000000 0.00000000 0.00000000
0.00044328 -0.51947848 -0.20668839 0.00000000 0.00000000 0.00000000
0.00162117 -0.53753822 -0.37965620 0.00000000 0.00000000 0.00000000
-0.00061082 -0.06704321 0.08847540 1.00000000 0.00000000 0.00000000
0.00029536 0.00884284 0.71404941 0.00000000 0.00000000 0.00000000
-0.00008255 -0.00218074 0.38958675 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
574.40000000 135.80000000 43.19000000 15.87000000 6.20800000
2.48300000 0.86880000 0.32290000 0.10980000 0.0351000
0.00265554 0.00067982 0.00000000 0.00000000 0.00000000
0.01976089 0.00506504 0.00000000 0.00000000 0.00000000
0.08938342 0.02349031 0.00000000 0.00000000 0.00000000
0.25525446 0.06868443 0.00000000 0.00000000 0.00000000
0.43372489 0.12374304 0.00000000 0.00000000 0.00000000
0.35412323 0.09656472 0.00000000 0.00000000 0.00000000
0.06174817 -0.22899107 1.00000000 0.00000000 0.00000000
-0.00501664 -0.56854877 0.00000000 0.00000000 0.00000000
0.00210261 -0.36653291 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
3.1200000 0.6480000 0.2180000 0.0775000
1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
0.55700000 0.2180000
1.00000000 0.00000000
0.00000000 1.00000000
S:APCVTZ-X2C recontracted with X2C
4
0 1 2 3 4 5 6 7
8 7 5 3 0 0 0 0
18 12 5 3 0 0 0 0
374100.00000000 56050.00000000 12760.00000000 3615.00000000 1183.00000000
428.80000000 167.80000000 69.47000000 29.84000000 12.72000000
5.24400000 2.21900000 0.77670000 0.34900000 0.13220000
12.9280000 2.4130000 0.0497000
0.00020709 0.00005763 0.00001674 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00079933 0.00022253 0.00006462 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00300969 0.00084081 0.00024435 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01053215 0.00295296 0.00085770 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.03402399 0.00971558 0.00283010 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.09693595 0.02862719 0.00835112 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.22526762 0.07312329 0.02156508 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.37355387 0.14709720 0.04407257 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32628376 0.19357062 0.06074125 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.08360920 -0.01283241 -0.00517327 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00044328 -0.51947848 -0.20668839 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00162117 -0.53753822 -0.37965620 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00029536 0.00884284 0.71404941 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
574.40000000 135.80000000 43.19000000 15.87000000 6.20800000
2.48300000 0.86880000 0.32290000 0.10980000 8.1140000
3.1060000 0.0351000
0.00265554 0.00067982 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01976089 0.00506504 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.08938342 0.02349031 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.25525446 0.06868443 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.43372489 0.12374304 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.35412323 0.09656472 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.06174817 -0.22899107 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00210261 -0.36653291 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.26900000 0.81900000 4.8450000 15.2540000 0.1010000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
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0.55700000 10.0520000 0.2180000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
S:PCVTZ-X2C recontracted with X2C
4
0 1 2 3 4 5 6 7
7 6 4 2 0 0 0 0
17 11 4 2 0 0 0 0
374100.00000000 56050.00000000 12760.00000000 3615.00000000 1183.00000000
428.80000000 167.80000000 69.47000000 29.84000000 12.72000000
5.24400000 2.21900000 0.77670000 0.34900000 0.13220000
12.9280000 2.4130000
0.00020709 0.00005763 0.00001674 0.00000000 0.00000000 0.00000000 0.00000000
0.00079933 0.00022253 0.00006462 0.00000000 0.00000000 0.00000000 0.00000000
0.00300969 0.00084081 0.00024435 0.00000000 0.00000000 0.00000000 0.00000000
0.01053215 0.00295296 0.00085770 0.00000000 0.00000000 0.00000000 0.00000000
0.03402399 0.00971558 0.00283010 0.00000000 0.00000000 0.00000000 0.00000000
0.09693595 0.02862719 0.00835112 0.00000000 0.00000000 0.00000000 0.00000000
0.22526762 0.07312329 0.02156508 0.00000000 0.00000000 0.00000000 0.00000000
0.37355387 0.14709720 0.04407257 0.00000000 0.00000000 0.00000000 0.00000000
0.32628376 0.19357062 0.06074125 0.00000000 0.00000000 0.00000000 0.00000000
0.08360920 -0.01283241 -0.00517327 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
574.40000000 135.80000000 43.19000000 15.87000000 6.20800000
2.48300000 0.86880000 0.32290000 0.10980000 8.1140000
3.1060000
0.00265554 0.00067982 0.00000000 0.00000000 0.00000000 0.00000000
0.01976089 0.00506504 0.00000000 0.00000000 0.00000000 0.00000000
0.08938342 0.02349031 0.00000000 0.00000000 0.00000000 0.00000000
0.25525446 0.06868443 0.00000000 0.00000000 0.00000000 0.00000000
0.43372489 0.12374304 0.00000000 0.00000000 0.00000000 0.00000000
0.35412323 0.09656472 0.00000000 0.00000000 0.00000000 0.00000000
0.06174817 -0.22899107 1.00000000 0.00000000 0.00000000 0.00000000
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0.00210261 -0.36653291 0.00000000 1.00000000 0.00000000 0.00000000
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1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
0.55700000 10.0520000
1.00000000 0.00000000
0.00000000 1.00000000
S:PVQZ-X2C recontracted with X2C
5
0 1 2 3 4 5 6 7
6 5 3 2 1 0 0 0
16 11 3 2 1 0 0 0
727800.00000000 109000.00000000 24800.00000000 7014.00000000 2278.00000000
814.70000000 313.40000000 127.70000000 54.48000000 23.85000000
9.42800000 4.29000000 1.90900000 0.62700000 0.28730000
0.11720000
0.00000962 0.00003313 0.00011909 0.0 0.0 0.0
0.00003441 0.00011852 0.00042588 0.0 0.0 0.0
0.00012186 0.00041923 0.00150296 0.0 0.0 0.0
0.00040834 0.00140708 0.00503574 0.0 0.0 0.0
0.00133168 0.00457206 0.01619287 0.0 0.0 0.0
0.00405303 0.01394329 0.04851815 0.0 0.0 0.0
0.01135696 0.03870006 0.12767985 0.0 0.0 0.0
0.02677831 0.09089342 0.26948409 0.0 0.0 0.0
0.05103766 0.16743702 0.38316182 0.0 0.0 0.0
0.05205182 0.16661294 0.26273400 0.0 0.0 0.0
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-0.32981953 -0.42722972 0.00214737 0.0 0.0 0.0
0.26970637 -0.03767396 -0.00082372 1.0 0.0 0.0
0.66493317 0.00694353 0.00044079 0.0 1.0 0.0
0.28497438 -0.00182712 -0.00012329 0.0 0.0 1.0
1546.00000000 366.40000000 118.40000000 44.53000000 18.38000000
7.96500000 3.54100000 1.59100000 0.62050000 0.24200000
0.09014000
0.00053878 0.00013801 0.0 0.0 0.0
0.00399512 0.00101525 0.0 0.0 0.0
0.02030453 0.00525616 0.0 0.0 0.0
0.07491100 0.01945794 0.0 0.0 0.0
0.19795955 0.05374981 0.0 0.0 0.0
0.35183923 0.09603601 0.0 0.0 0.0
0.37802574 0.11777292 0.0 0.0 0.0
0.17045706 -0.00945268 0.0 0.0 0.0
0.01515278 -0.35974398 1.0 0.0 0.0
0.00005199 -0.52417453 0.0 1.0 0.0
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0.20300000 0.50400000 1.25000000
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0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
0.33500000 0.86900000
1.00000000 0.00000000
0.00000000 1.00000000
0.68300000
1.00000000
S:PV(Q+d)Z-X2C recontracted with X2C
5
0 1 2 3 4 5 6 7
6 5 4 2 1 0 0 0
16 11 4 2 1 0 0 0
727800.00000000 109000.00000000 24800.00000000 7014.00000000 2278.00000000
814.70000000 313.40000000 127.70000000 54.48000000 23.85000000
9.42800000 4.29000000 1.90900000 0.62700000 0.28730000
0.11720000
0.00000962 0.00003313 0.00011909 0.00000000 0.00000000 0.00000000
0.00003441 0.00011852 0.00042588 0.00000000 0.00000000 0.00000000
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0.01135696 0.03870006 0.12767985 0.00000000 0.00000000 0.00000000
0.02677831 0.09089342 0.26948409 0.00000000 0.00000000 0.00000000
0.05103766 0.16743702 0.38316182 0.00000000 0.00000000 0.00000000
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0.26970637 -0.03767396 -0.00082372 1.00000000 0.00000000 0.00000000
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1546.00000000 366.40000000 118.40000000 44.53000000 18.38000000
7.96500000 3.54100000 1.59100000 0.62050000 0.24200000
0.09014000
0.00053878 0.00013801 0.00000000 0.00000000 0.00000000
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0.02030453 0.00525616 0.00000000 0.00000000 0.00000000
0.07491100 0.01945794 0.00000000 0.00000000 0.00000000
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0.35183923 0.09603601 0.00000000 0.00000000 0.00000000
0.37802574 0.11777292 0.00000000 0.00000000 0.00000000
0.17045706 -0.00945268 0.00000000 0.00000000 0.00000000
0.01515278 -0.35974398 1.00000000 0.00000000 0.00000000
0.00005199 -0.52417453 0.00000000 1.00000000 0.00000000
0.00041887 -0.24981834 0.00000000 0.00000000 1.00000000
3.3430000 0.8070000 0.3650000 0.1540000
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0.33500000 0.86900000
1.00000000 0.00000000
0.00000000 1.00000000
0.68300000
1.00000000
S:APVQZ-X2C recontracted with X2C
5
0 1 2 3 4 5 6 7
7 6 4 3 2 0 0 0
17 12 4 3 2 0 0 0
727800.00000000 109000.00000000 24800.00000000 7014.00000000 2278.00000000
814.70000000 313.40000000 127.70000000 54.48000000 23.85000000
9.42800000 4.29000000 1.90900000 0.62700000 0.28730000
0.11720000 0.0428000
0.00000962 0.00003313 0.00011909 0.00000000 0.00000000 0.00000000 0.00000000
0.00003441 0.00011852 0.00042588 0.00000000 0.00000000 0.00000000 0.00000000
0.00012186 0.00041923 0.00150296 0.00000000 0.00000000 0.00000000 0.00000000
0.00040834 0.00140708 0.00503574 0.00000000 0.00000000 0.00000000 0.00000000
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0.00405303 0.01394329 0.04851815 0.00000000 0.00000000 0.00000000 0.00000000
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0.02677831 0.09089342 0.26948409 0.00000000 0.00000000 0.00000000 0.00000000
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0.28497438 -0.00182712 -0.00012329 0.00000000 0.00000000 1.00000000 0.00000000
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1546.00000000 366.40000000 118.40000000 44.53000000 18.38000000
7.96500000 3.54100000 1.59100000 0.62050000 0.24200000
0.09014000 0.0317000
0.00053878 0.00013801 0.00000000 0.00000000 0.00000000 0.00000000
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0.02030453 0.00525616 0.00000000 0.00000000 0.00000000 0.00000000
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0.01515278 -0.35974398 1.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 1.00000000
0.68300000 0.2970000
1.00000000 0.00000000
0.00000000 1.00000000
S:APV(Q+d)Z-X2C recontracted with X2C
5
0 1 2 3 4 5 6 7
7 6 5 3 2 0 0 0
17 12 5 3 2 0 0 0
727800.00000000 109000.00000000 24800.00000000 7014.00000000 2278.00000000
814.70000000 313.40000000 127.70000000 54.48000000 23.85000000
9.42800000 4.29000000 1.90900000 0.62700000 0.28730000
0.11720000 0.0428000
0.00000962 0.00003313 0.00011909 0.00000000 0.00000000 0.00000000 0.00000000
0.00003441 0.00011852 0.00042588 0.00000000 0.00000000 0.00000000 0.00000000
0.00012186 0.00041923 0.00150296 0.00000000 0.00000000 0.00000000 0.00000000
0.00040834 0.00140708 0.00503574 0.00000000 0.00000000 0.00000000 0.00000000
0.00133168 0.00457206 0.01619287 0.00000000 0.00000000 0.00000000 0.00000000
0.00405303 0.01394329 0.04851815 0.00000000 0.00000000 0.00000000 0.00000000
0.01135696 0.03870006 0.12767985 0.00000000 0.00000000 0.00000000 0.00000000
0.02677831 0.09089342 0.26948409 0.00000000 0.00000000 0.00000000 0.00000000
0.05103766 0.16743702 0.38316182 0.00000000 0.00000000 0.00000000 0.00000000
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0.26970637 -0.03767396 -0.00082372 1.00000000 0.00000000 0.00000000 0.00000000
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0.28497438 -0.00182712 -0.00012329 0.00000000 0.00000000 1.00000000 0.00000000
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1546.00000000 366.40000000 118.40000000 44.53000000 18.38000000
7.96500000 3.54100000 1.59100000 0.62050000 0.24200000
0.09014000 0.0317000
0.00053878 0.00013801 0.00000000 0.00000000 0.00000000 0.00000000
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0.02030453 0.00525616 0.00000000 0.00000000 0.00000000 0.00000000
0.07491100 0.01945794 0.00000000 0.00000000 0.00000000 0.00000000
0.19795955 0.05374981 0.00000000 0.00000000 0.00000000 0.00000000
0.35183923 0.09603601 0.00000000 0.00000000 0.00000000 0.00000000
0.37802574 0.11777292 0.00000000 0.00000000 0.00000000 0.00000000
0.17045706 -0.00945268 0.00000000 0.00000000 0.00000000 0.00000000
0.01515278 -0.35974398 1.00000000 0.00000000 0.00000000 0.00000000
0.00005199 -0.52417453 0.00000000 1.00000000 0.00000000 0.00000000
0.00041887 -0.24981834 0.00000000 0.00000000 1.00000000 0.00000000
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3.3430000 0.8070000 0.3650000 0.1540000 0.0570000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.33500000 0.86900000 0.1400000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
0.68300000 0.2970000
1.00000000 0.00000000
0.00000000 1.00000000
S:APCVQZ-X2C recontracted with X2C
5
0 1 2 3 4 5 6 7
10 9 7 5 3 0 0 0
20 15 7 5 3 0 0 0
727800.00000000 109000.00000000 24800.00000000 7014.00000000 2278.00000000
814.70000000 313.40000000 127.70000000 54.48000000 23.85000000
9.42800000 4.29000000 1.90900000 0.62700000 0.28730000
0.11720000 17.5990000 9.1860000 4.7950000 0.0428000
0.00000962 0.00003313 0.00011909 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00003441 0.00011852 0.00042588 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00012186 0.00041923 0.00150296 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00040834 0.00140708 0.00503574 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00133168 0.00457206 0.01619287 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00405303 0.01394329 0.04851815 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01135696 0.03870006 0.12767985 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.02677831 0.09089342 0.26948409 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.05103766 0.16743702 0.38316182 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.05205182 0.16661294 0.26273400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.26970637 -0.03767396 -0.00082372 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.66493317 0.00694353 0.00044079 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.28497438 -0.00182712 -0.00012329 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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1546.00000000 366.40000000 118.40000000 44.53000000 18.38000000
7.96500000 3.54100000 1.59100000 0.62050000 0.24200000
0.09014000 18.1270000 8.2190000 3.7260000 0.0317000
0.00053878 0.00013801 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.37802574 0.11777292 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.17045706 -0.00945268 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.20300000 0.50400000 1.25000000 27.4170000 10.8930000
4.3190000 0.0748000
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0.33500000 0.86900000 16.5350000 6.0080000 0.1400000
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0.68300000 12.5180000 0.2970000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
S:PCVQZ-X2C recontracted with X2C
5
0 1 2 3 4 5 6 7
9 8 6 4 2 0 0 0
19 14 6 4 2 0 0 0
727800.00000000 109000.00000000 24800.00000000 7014.00000000 2278.00000000
814.70000000 313.40000000 127.70000000 54.48000000 23.85000000
9.42800000 4.29000000 1.90900000 0.62700000 0.28730000
0.11720000 17.5990000 9.1860000 4.7950000
0.00000962 0.00003313 0.00011909 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00003441 0.00011852 0.00042588 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00012186 0.00041923 0.00150296 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00040834 0.00140708 0.00503574 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00133168 0.00457206 0.01619287 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00405303 0.01394329 0.04851815 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01135696 0.03870006 0.12767985 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.02677831 0.09089342 0.26948409 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.05103766 0.16743702 0.38316182 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.05205182 0.16661294 0.26273400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.26970637 -0.03767396 -0.00082372 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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1546.00000000 366.40000000 118.40000000 44.53000000 18.38000000
7.96500000 3.54100000 1.59100000 0.62050000 0.24200000
0.09014000 18.1270000 8.2190000 3.7260000
0.00053878 0.00013801 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00399512 0.00101525 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.37802574 0.11777292 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.17045706 -0.00945268 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01515278 -0.35974398 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00005199 -0.52417453 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00041887 -0.24981834 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
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0.20300000 0.50400000 1.25000000 27.4170000 10.8930000
4.3190000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.33500000 0.86900000 16.5350000 6.0080000
1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 1.00000000
0.68300000 12.5180000
1.00000000 0.00000000
0.00000000 1.00000000
S:PV5Z-X2C recontracted with X2C
6
0 1 2 3 4 5 6 7
7 6 4 3 2 1 0 0
20 12 4 3 2 1 0 0
5481000.00000000 820600.00000000 186700.00000000 52880.00000000 17250.00000000
6226.00000000 2429.00000000 1007.00000000 439.50000000 199.80000000
93.92000000 45.34000000 22.15000000 10.34000000 5.11900000
2.55300000 1.28200000 0.54500000 0.24110000 0.10350000
0.00002440 0.00000679 0.00000197 0.00000000 0.00000000 0.00000000 0.00000000
0.00007390 0.00002056 0.00000597 0.00000000 0.00000000 0.00000000 0.00000000
0.00021842 0.00006078 0.00001766 0.00000000 0.00000000 0.00000000 0.00000000
0.00061492 0.00017130 0.00004974 0.00000000 0.00000000 0.00000000 0.00000000
0.00172079 0.00047987 0.00013947 0.00000000 0.00000000 0.00000000 0.00000000
0.00473651 0.00132596 0.00038499 0.00000000 0.00000000 0.00000000 0.00000000
0.01276724 0.00359560 0.00104651 0.00000000 0.00000000 0.00000000 0.00000000
0.03289756 0.00941915 0.00273899 0.00000000 0.00000000 0.00000000 0.00000000
0.07831901 0.02313326 0.00676651 0.00000000 0.00000000 0.00000000 0.00000000
0.16428111 0.05199469 0.01524850 0.00000000 0.00000000 0.00000000 0.00000000
0.27950489 0.10102026 0.03015013 0.00000000 0.00000000 0.00000000 0.00000000
0.33123635 0.15667504 0.04768308 0.00000000 0.00000000 0.00000000 0.00000000
0.20766904 0.13725983 0.04414834 0.00000000 0.00000000 0.00000000 0.00000000
0.04103235 -0.08518851 -0.03089941 0.00000000 0.00000000 0.00000000 0.00000000
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0.00166416 -0.47881667 -0.31081366 0.00000000 0.00000000 0.00000000 0.00000000
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0.00018551 -0.00766354 0.42713511 0.00000000 1.00000000 0.00000000 0.00000000
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0.00002054 -0.00022220 0.19748813 0.00000000 0.00000000 0.00000000 1.00000000
2200.00000000 521.40000000 169.00000000 64.05000000 26.72000000
11.83000000 5.37800000 2.48200000 1.11600000 0.48480000
0.20060000 0.07951000
0.00030995 0.00007896 0.00000000 0.00000000 0.00000000 0.00000000
0.00223946 0.00057207 0.00000000 0.00000000 0.00000000 0.00000000
0.01159587 0.00297290 0.00000000 0.00000000 0.00000000 0.00000000
0.04465812 0.01159441 0.00000000 0.00000000 0.00000000 0.00000000
0.12988243 0.03447532 0.00000000 0.00000000 0.00000000 0.00000000
0.26939549 0.07362667 0.00000000 0.00000000 0.00000000 0.00000000
0.37827301 0.10768313 0.00000000 0.00000000 0.00000000 0.00000000
0.29606700 0.08744729 0.00000000 0.00000000 0.00000000 0.00000000
0.07777504 -0.10834698 1.00000000 0.00000000 0.00000000 0.00000000
0.00205667 -0.40801248 0.00000000 1.00000000 0.00000000 0.00000000
0.00142523 -0.46685125 0.00000000 0.00000000 1.00000000 0.00000000
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0.20500000 0.51200000 1.28100000 3.20300000
1.00000000 0.00000000 0.00000000 0.00000000
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0.25500000 0.52900000 1.09600000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
0.46300000 1.07100000
1.00000000 0.00000000
0.00000000 1.00000000
0.87200000
1.00000000
S:PV(5+d)Z-X2C recontracted with X2C
6
0 1 2 3 4 5 6 7
7 6 5 3 2 1 0 0
20 12 5 3 2 1 0 0
5481000.00000000 820600.00000000 186700.00000000 52880.00000000 17250.00000000
6226.00000000 2429.00000000 1007.00000000 439.50000000 199.80000000
93.92000000 45.34000000 22.15000000 10.34000000 5.11900000
2.55300000 1.28200000 0.54500000 0.24110000 0.10350000
0.00002440 0.00000679 0.00000197 0.00000000 0.00000000 0.00000000 0.00000000
0.00007390 0.00002056 0.00000597 0.00000000 0.00000000 0.00000000 0.00000000
0.00021842 0.00006078 0.00001766 0.00000000 0.00000000 0.00000000 0.00000000
0.00061492 0.00017130 0.00004974 0.00000000 0.00000000 0.00000000 0.00000000
0.00172079 0.00047987 0.00013947 0.00000000 0.00000000 0.00000000 0.00000000
0.00473651 0.00132596 0.00038499 0.00000000 0.00000000 0.00000000 0.00000000
0.01276724 0.00359560 0.00104651 0.00000000 0.00000000 0.00000000 0.00000000
0.03289756 0.00941915 0.00273899 0.00000000 0.00000000 0.00000000 0.00000000
0.07831901 0.02313326 0.00676651 0.00000000 0.00000000 0.00000000 0.00000000
0.16428111 0.05199469 0.01524850 0.00000000 0.00000000 0.00000000 0.00000000
0.27950489 0.10102026 0.03015013 0.00000000 0.00000000 0.00000000 0.00000000
0.33123635 0.15667504 0.04768308 0.00000000 0.00000000 0.00000000 0.00000000
0.20766904 0.13725983 0.04414834 0.00000000 0.00000000 0.00000000 0.00000000
0.04103235 -0.08518851 -0.03089941 0.00000000 0.00000000 0.00000000 0.00000000
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0.00018551 -0.00766354 0.42713511 0.00000000 1.00000000 0.00000000 0.00000000
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0.00002054 -0.00022220 0.19748813 0.00000000 0.00000000 0.00000000 1.00000000
2200.00000000 521.40000000 169.00000000 64.05000000 26.72000000
11.83000000 5.37800000 2.48200000 1.11600000 0.48480000
0.20060000 0.07951000
0.00030995 0.00007896 0.00000000 0.00000000 0.00000000 0.00000000
0.00223946 0.00057207 0.00000000 0.00000000 0.00000000 0.00000000
0.01159587 0.00297290 0.00000000 0.00000000 0.00000000 0.00000000
0.04465812 0.01159441 0.00000000 0.00000000 0.00000000 0.00000000
0.12988243 0.03447532 0.00000000 0.00000000 0.00000000 0.00000000
0.26939549 0.07362667 0.00000000 0.00000000 0.00000000 0.00000000
0.37827301 0.10768313 0.00000000 0.00000000 0.00000000 0.00000000
0.29606700 0.08744729 0.00000000 0.00000000 0.00000000 0.00000000
0.07777504 -0.10834698 1.00000000 0.00000000 0.00000000 0.00000000
0.00205667 -0.40801248 0.00000000 1.00000000 0.00000000 0.00000000
0.00142523 -0.46685125 0.00000000 0.00000000 1.00000000 0.00000000
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5.1030000 1.2540000 0.7240000 0.3540000 0.1440000
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0.25500000 0.52900000 1.09600000
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0.00000000 0.00000000 1.00000000
0.46300000 1.07100000
1.00000000 0.00000000
0.00000000 1.00000000
0.87200000
1.00000000
S:APV5Z-X2C recontracted with X2C
6
0 1 2 3 4 5 6 7
8 7 5 4 3 2 0 0
21 13 5 4 3 2 0 0
5481000.00000000 820600.00000000 186700.00000000 52880.00000000 17250.00000000
6226.00000000 2429.00000000 1007.00000000 439.50000000 199.80000000
93.92000000 45.34000000 22.15000000 10.34000000 5.11900000
2.55300000 1.28200000 0.54500000 0.24110000 0.10350000
0.0420000
0.00002440 0.00000679 0.00000197 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00007390 0.00002056 0.00000597 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00021842 0.00006078 0.00001766 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00061492 0.00017130 0.00004974 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00172079 0.00047987 0.00013947 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00473651 0.00132596 0.00038499 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01276724 0.00359560 0.00104651 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.07831901 0.02313326 0.00676651 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.16428111 0.05199469 0.01524850 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.27950489 0.10102026 0.03015013 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.33123635 0.15667504 0.04768308 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.20766904 0.13725983 0.04414834 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.04103235 -0.08518851 -0.03089941 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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2200.00000000 521.40000000 169.00000000 64.05000000 26.72000000
11.83000000 5.37800000 2.48200000 1.11600000 0.48480000
0.20060000 0.07951000 0.0294000
0.00030995 0.00007896 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.26939549 0.07362667 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.37827301 0.10768313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.29606700 0.08744729 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.07777504 -0.10834698 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00205667 -0.40801248 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.00142523 -0.46685125 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
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0.20500000 0.51200000 1.28100000 3.20300000 0.0794000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.25500000 0.52900000 1.09600000 0.1188000
1.00000000 0.00000000 0.00000000 0.00000000
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0.46300000 1.07100000 0.2200000
1.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 1.00000000
0.87200000 0.4720000
1.00000000 0.00000000
0.00000000 1.00000000
S:APV(5+d)Z-X2C recontracted with X2C
6
0 1 2 3 4 5 6 7
8 7 6 4 3 2 0 0
21 13 6 4 3 2 0 0
5481000.00000000 820600.00000000 186700.00000000 52880.00000000 17250.00000000
6226.00000000 2429.00000000 1007.00000000 439.50000000 199.80000000
93.92000000 45.34000000 22.15000000 10.34000000 5.11900000
2.55300000 1.28200000 0.54500000 0.24110000 0.10350000
0.0420000
0.00002440 0.00000679 0.00000197 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00007390 0.00002056 0.00000597 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00021842 0.00006078 0.00001766 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00061492 0.00017130 0.00004974 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00172079 0.00047987 0.00013947 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00473651 0.00132596 0.00038499 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01276724 0.00359560 0.00104651 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.03289756 0.00941915 0.00273899 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.07831901 0.02313326 0.00676651 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.16428111 0.05199469 0.01524850 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.27950489 0.10102026 0.03015013 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.33123635 0.15667504 0.04768308 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.20766904 0.13725983 0.04414834 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.04103235 -0.08518851 -0.03089941 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00018551 -0.00766354 0.42713511 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
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0.00002054 -0.00022220 0.19748813 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
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2200.00000000 521.40000000 169.00000000 64.05000000 26.72000000
11.83000000 5.37800000 2.48200000 1.11600000 0.48480000
0.20060000 0.07951000 0.0294000
0.00030995 0.00007896 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00223946 0.00057207 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01159587 0.00297290 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.04465812 0.01159441 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.12988243 0.03447532 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.26939549 0.07362667 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.37827301 0.10768313 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.29606700 0.08744729 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.07777504 -0.10834698 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00205667 -0.40801248 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.00142523 -0.46685125 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
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5.1030000 1.2540000 0.7240000 0.3540000 0.1440000
0.0537000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
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0.25500000 0.52900000 1.09600000 0.1188000
1.00000000 0.00000000 0.00000000 0.00000000
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0.46300000 1.07100000 0.2200000
1.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 1.00000000
0.87200000 0.4720000
1.00000000 0.00000000
0.00000000 1.00000000
S:PCV5Z-X2C recontracted with X2C
6
0 1 2 3 4 5 6 7
11 10 8 6 4 2 0 0
20 12 8 6 4 2 0 0
5481000.00000000 820600.00000000 186700.00000000 52880.00000000 17250.00000000
6226.00000000 2429.00000000 1007.00000000 439.50000000 199.80000000
93.92000000 45.34000000 22.15000000 10.34000000 5.11900000
2.55300000 1.28200000 0.54500000 0.24110000 0.10350000
0.00002440 0.00000679 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00007390 0.00002056 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00021842 0.00006078 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00061492 0.00017130 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00172079 0.00047987 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00473651 0.00132596 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.01276724 0.00359560 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.03289756 0.00941915 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.07831901 0.02313326 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.16428111 0.05199469 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.27950489 0.10102026 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.33123635 0.15667504 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.20766904 0.13725983 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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11.83000000 5.37800000 2.48200000 1.11600000 0.48480000
0.20060000 0.07951000
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0.04465812 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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0.20500000 0.51200000 1.28100000 3.20300000 56.6940000
28.0700000 13.8980000 6.8810000
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0.25500000 0.52900000 1.09600000 26.3820000 11.0720000
4.6470000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.46300000 1.07100000 20.3460000 7.9080000
1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
0.87200000 15.3060000
1.00000000 0.00000000
0.00000000 1.00000000
S:APCV5Z-X2C recontracted with X2C
6
0 1 2 3 4 5 6 7
12 11 9 7 5 3 0 0
21 13 9 7 5 3 0 0
5481000.00000000 820600.00000000 186700.00000000 52880.00000000 17250.00000000
6226.00000000 2429.00000000 1007.00000000 439.50000000 199.80000000
93.92000000 45.34000000 22.15000000 10.34000000 5.11900000
2.55300000 1.28200000 0.54500000 0.24110000 0.10350000
0.0420000
0.00002440 0.00000679 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00007390 0.00002056 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00021842 0.00006078 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00061492 0.00017130 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00172079 0.00047987 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.00473651 0.00132596 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.01276724 0.00359560 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.03289756 0.00941915 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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0.20766904 0.13725983 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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11.83000000 5.37800000 2.48200000 1.11600000 0.48480000
0.20060000 0.07951000 0.0294000
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0.04465812 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.12988243 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.26939549 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.37827301 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0
0.29606700 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0
0.07777504 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0
0.00205667 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0
0.00142523 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0
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0.20500000 0.51200000 1.28100000 3.20300000 56.6940000
28.0700000 13.8980000 6.8810000 0.0794000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.25500000 0.52900000 1.09600000 26.3820000 11.0720000
4.6470000 0.1188000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.46300000 1.07100000 20.3460000 7.9080000 0.2200000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.87200000 15.3060000 0.4720000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
S:PV6Z-X2C recontracted with X2C
7
0 1 2 3 4 5 6 7
8 7 5 4 3 2 1 0
21 14 5 4 3 2 1 0
6297000.00000000 943100.00000000 214900.00000000 61250.00000000 20450.00000000
7719.00000000 3198.00000000 1402.00000000 637.20000000 298.90000000
144.30000000 71.21000000 35.73000000 17.97000000 8.34100000
4.11200000 2.04500000 0.97700000 0.47660000 0.21850000
0.09759000
0.00000611 0.00000177 0.00002196 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00001834 0.00000533 0.00006593 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00005359 0.00001556 0.00019252 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00014688 0.00004266 0.00052753 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00038923 0.00011308 0.00139512 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00098543 0.00028626 0.00352740 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00244578 0.00071118 0.00869401 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.01452508 0.00423686 0.04994054 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.06683102 0.01973802 0.20129960 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.11736075 0.03517812 0.30012725 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.09139294 0.02925549 0.14468257 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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5266.00000000 1247.00000000 405.00000000 154.80000000 65.38000000
29.59000000 14.04000000 6.82400000 3.36900000 1.66600000
0.76810000 0.35040000 0.15560000 0.06681000
0.00008383 0.00002139 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00053907 0.00013717 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.21609064 0.05889566 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32513270 0.09029168 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32557106 0.09972810 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.16269740 0.01053136 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.02386617 -0.23289501 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.00046526 -0.43180921 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.00073357 -0.37283385 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00003229 -0.11569558 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
5.07550000 2.18330000 0.93920000 0.40400000 0.17380000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
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2.21200000 1.06300000 0.51000000 0.24500000
1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
1.34730000 0.70090000 0.36470000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
1.28610000 0.61150000
1.00000000 0.00000000
0.00000000 1.00000000
1.04090000
1.00000000
S:PV(6+d)Z-X2C recontracted with X2C
7
0 1 2 3 4 5 6 7
8 7 6 4 3 2 1 0
21 14 6 4 3 2 1 0
6297000.00000000 943100.00000000 214900.00000000 61250.00000000 20450.00000000
7719.00000000 3198.00000000 1402.00000000 637.20000000 298.90000000
144.30000000 71.21000000 35.73000000 17.97000000 8.34100000
4.11200000 2.04500000 0.97700000 0.47660000 0.21850000
0.09759000
0.00000611 0.00000177 0.00002196 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00001834 0.00000533 0.00006593 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00005359 0.00001556 0.00019252 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00014688 0.00004266 0.00052753 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00038923 0.00011308 0.00139512 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00098543 0.00028626 0.00352740 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00244578 0.00071118 0.00869401 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00602822 0.00175339 0.02125066 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01452508 0.00423686 0.04994054 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.03257042 0.00953009 0.10748909 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.06683102 0.01973802 0.20129960 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.11736075 0.03517812 0.30012725 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.15911255 0.04931644 0.29646588 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.09139294 0.02925549 0.14468257 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00001863 0.16090507 0.00001226 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
5266.00000000 1247.00000000 405.00000000 154.80000000 65.38000000
29.59000000 14.04000000 6.82400000 3.36900000 1.66600000
0.76810000 0.35040000 0.15560000 0.06681000
0.00008383 0.00002139 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00053907 0.00013717 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00281844 0.00072154 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.03900709 0.01014073 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.10498029 0.02771328 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.21609064 0.05889566 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32513270 0.09029168 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32557106 0.09972810 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.16269740 0.01053136 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.02386617 -0.23289501 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.00046526 -0.43180921 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.00073357 -0.37283385 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00003229 -0.11569558 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
9.4730000 2.4820000 1.0880000 0.6920000 0.3190000
0.1340000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
2.21200000 1.06300000 0.51000000 0.24500000
1.00000000 0.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000 0.00000000
0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 1.00000000
1.34730000 0.70090000 0.36470000
1.00000000 0.00000000 0.00000000
0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 1.00000000
1.28610000 0.61150000
1.00000000 0.00000000
0.00000000 1.00000000
1.04090000
1.00000000
S:APV6Z-X2C recontracted with X2C
7
0 1 2 3 4 5 6 7
9 8 6 5 4 3 2 0
22 15 6 5 4 3 2 0
6297000.00000000 943100.00000000 214900.00000000 61250.00000000 20450.00000000
7719.00000000 3198.00000000 1402.00000000 637.20000000 298.90000000
144.30000000 71.21000000 35.73000000 17.97000000 8.34100000
4.11200000 2.04500000 0.97700000 0.47660000 0.21850000
0.09759000 0.0389300
0.00000611 0.00000177 0.00002196 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00001834 0.00000533 0.00006593 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00005359 0.00001556 0.00019252 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00014688 0.00004266 0.00052753 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00038923 0.00011308 0.00139512 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00098543 0.00028626 0.00352740 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00244578 0.00071118 0.00869401 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00602822 0.00175339 0.02125066 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01452508 0.00423686 0.04994054 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.03257042 0.00953009 0.10748909 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.06683102 0.01973802 0.20129960 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.11736075 0.03517812 0.30012725 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.15911255 0.04931644 0.29646588 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.00001863 0.16090507 0.00001226 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
5266.00000000 1247.00000000 405.00000000 154.80000000 65.38000000
29.59000000 14.04000000 6.82400000 3.36900000 1.66600000
0.76810000 0.35040000 0.15560000 0.06681000 0.0264800
0.00008383 0.00002139 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00053907 0.00013717 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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0.10498029 0.02771328 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.21609064 0.05889566 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32513270 0.09029168 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.32557106 0.09972810 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.16269740 0.01053136 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.02386617 -0.23289501 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00046526 -0.43180921 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.00073357 -0.37283385 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.00003229 -0.11569558 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
5.07550000 2.18330000 0.93920000 0.40400000 0.17380000
0.0698600
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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2.21200000 1.06300000 0.51000000 0.24500000 0.1100000
1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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1.34730000 0.70090000 0.36470000 0.1799000
1.00000000 0.00000000 0.00000000 0.00000000
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1.28610000 0.61150000 0.3465000
1.00000000 0.00000000 0.00000000
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1.04090000 0.6222000
1.00000000 0.00000000
0.00000000 1.00000000
S:APV(6+d)Z-X2C recontracted with X2C
7
0 1 2 3 4 5 6 7
9 8 7 5 4 3 2 0
22 15 7 5 4 3 2 0
6297000.00000000 943100.00000000 214900.00000000 61250.00000000 20450.00000000
7719.00000000 3198.00000000 1402.00000000 637.20000000 298.90000000
144.30000000 71.21000000 35.73000000 17.97000000 8.34100000
4.11200000 2.04500000 0.97700000 0.47660000 0.21850000
0.09759000 0.0389300
0.00000611 0.00000177 0.00002196 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00001834 0.00000533 0.00006593 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00005359 0.00001556 0.00019252 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00014688 0.00004266 0.00052753 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00038923 0.00011308 0.00139512 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00098543 0.00028626 0.00352740 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00244578 0.00071118 0.00869401 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.00602822 0.00175339 0.02125066 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.01452508 0.00423686 0.04994054 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.03257042 0.00953009 0.10748909 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.06683102 0.01973802 0.20129960 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
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CFOUR is partially supported by the U.S. National Science Foundation.