Cyt+OH tests C 0.30233444 2.99849328 -0.18392770 C 2.14565029 1.09463160 0.74256179 C 1.14551781 -1.53094278 0.12102289 N -1.22118102 -2.14434485 -0.14191530 C -3.05169014 -0.24421932 -0.04279170 N -2.19683434 2.26778777 -0.06137727 O -5.32424325 -0.67261825 0.00137192 N 2.95385730 -3.31697485 -0.02592867 H 0.69631682 4.99376081 0.07713719 H 2.42223267 1.19274231 2.80436191 H -3.60098628 3.55850687 -0.24561169 H 2.43903392 -5.08220373 -0.55036239 H 4.77753653 -2.76397664 -0.15186757 O 4.62056941 1.48913200 -0.27989795 H 4.36060801 1.91038661 -2.05738055 *ACES2(CALC=MP2,BASIS=AUG-CC-PVTZ REF=UHF,UNITS=BOHR COORDINATES=CARTESIAN MULT=2 SYMMETRY=NONE) *SIP MAXMEM=900 TIMERS = YES SIP_MX_SEGSIZE = 35 SIP_MX_OCC_SEGSIZE = 17 SIP_MX_VIRT_SEGSIZE = 35 SIAL_PROGRAM = scf_uhf_new.sio SIAL_PROGRAM = mp2grad_uhf_sv1_new.sio