The following atomic masses are used in CFOUR by default:
(all values are taken from QUANTITIES, UNITS, AND SYMBOLS IN PHYSICAL CHEMISTRY, I. Mills et al. Blackwell Science, Oxford, 1993, 2nd Ed.)
| hydrogen | 1.007825035 |
| helium | 4.00260324 |
| lithium | 7.0160030 |
| berylium | 9.0121822 |
| boron | 11.0093054 |
| carbon | 12.0000000 |
| nitrogen | 14.003074002 |
| oxygen | 15.99491463 |
| fluorine | 18.99840322 |
| neon | 19.9924356 |
| sodium | 22.9897677 |
| magnesium | 23.9850423 |
| aluminum | 26.9815386 |
| silicon | 27.9769271 |
| phosphorus | 30.9737620 |
| sulfur | 31.97207070 |
| chlorine | 34.968852721 |
| argon | 39.9623837 |
| potassium | 38.9637074 |
| calcium | 39.9625906 |
| scandium | 44.9559100 |
| titanium | 47.9479473 |
| vanadium | 50.9439617 |
| chromium | 51.9405098 |
| mangane | 54.9380471 |
| iron | 55.9349393 |
| cobalt | 58.9331976 |
| nickel | 57.9353462 |
| copper | 62.9295989 |
| zinc | 63.9291448 |
| gallium | 68.925580 |
| germanium | 73.9211774 |
| arsenic | 74.9215942 |
| selenium | 79.9165196 |
| bromine | 78.9183361 |
| krypton | 83.911507 |
| rubidium | 84.911794 |
| strontium | 87.9056188 |
| yttrium | 88.905849 |
| zirconium | 89.9047026 |
| niobium | 92.9063772 |
| molybdenum | 97.9054073 |
| technetium | 97.907215 |
| ruthenium | 101.9043485 |
| rhodium | 102.905500 |
| palladium | 105.903478 |
| silver | 106.905092 |
| cadmium | 113.903357 |
| indium | 114.903882 |
| tin | 119.9021991 |
| antiamony | 120.9038212 |
| tellurium | 129.906229 |
| iodine | 126.904473 |
| xenon | 131.904144 |
| cesium | 132.905429 |
| barium | 137.905232 |
| lanthanum | 138.906347 |
| cerium | 139.905433 |
| praseodymium | 140.907647 |
| neodymium | 141.907719 |
| promethium | 144.912743 |
| samarium | 151.919728 |
| europium | 152.921225 |
| gadolinium | 157.924019 |
| terbium | 158.925342 |
| dysprosium | 163.929171 |
| holmium | 164.930319 |
| erbium | 165.930290 |
| thulium | 168.93421 |
| ytterbium | 173.938859 |
| lutetium | 174.940770 |
| hafnium | 179.9465457 |
| tantalum | 180.947462 |
| tungsten | 183.950928 |
| rhenium | 186.955744 |
| osmium | 191.961467 |
| iridium | 192.962917 |
| platinum | 194.964766 |
| gold | 196.966543 |
| mercury | 201.970617 |
| thallium | 204.974401 |
| lead | 207.976627 |
| bismuth | 208.980374 |
| polonium | 208.982404 |
| astatine | 209.987126 |
| xenon | 222.017571 |
For the most important other isotopes, the following values are provided:
| hydrogen (2H or D) | 2.014101779 |
| hydrogen (3H or T) | 3.01604927 |
| helium (3He) | 3.01602931 |
| lithium (6Li) | 6.0151214 |
| boron (10 B) | 10.0129369 |
| carbon (13C) | 13.003354826 |
| carbon (14C) | 14.003241982 |
| nitrogen (15N) | 15.00010897 |
| oxygen (18O) | 17.9991603 |
| oxygen (17O) | 16.9991312 |
| neon (22Ne) | 21.9913831 |
| neon (21Ne) | 20.9938428 |
| magnesium (26Mg) | 25.9825937 |
| magnesium (25Mg) | 24.9858374 |
| silicon (29Si) | 28.9764949 |
| silicon (30Si) | 29.9737707 |
| sulfur (34S) | 33.96786665 |
| sulfur (33S) | 32.97145843 |
| sulfur (36S) | 35.96708062 |
| chlorine (37Cl) | 36.96590262 |
| argon (36Ar} | 35.96754552 |
| argon (38Ar) | 37.9627325 |
All values are taken from
QUANTITIES, UNITS, AND SYMBOLS IN PHYSICAL CHEMISTRY, I. Mills et al. Blackwell Science, Oxford, 1993, 2nd Ed.
CFOUR is partially supported by the U.S. National Science Foundation.