Acetylene, CIS/DZP excited-state geometry optimization C C 1 RCC* H 1 RCH* 2 A* H 2 RCH* 1 A* 3 D180 RCC=1.36 RCH=1.08 A=124. D180=180. *ACES2(CALC=SCF,BASIS=DZP,EXCITE=CIS ESTATE_CONV=10,CONV=10,SCF_CONV=10) %excite* 1 1 1 7 0 8 0 1.0