$CONTRL RUNTYP=GRADIENT INTTYP=HONDO ICUT=10 CITYP=CIS ISPHER=1 NPRINT=-5 $END $SYSTEM TIMLIM=6000 MEMORY=100000000 $END $CIS NSTATE=1 CHFSLV=DIIS $END $SCF DIRSCF=.T. $END $DATA Porphyrin CC-PVTZ, AUG-CC on N DNH 2 C 6.0 0.6694595766 -4.2394653674 0.0000000000 S 8 1 8236.0000000000 0.00053100 2 1235.0000000000 0.00410800 3 280.8000000000 0.02108700 4 79.2700000000 0.08185300 5 25.5900000000 0.23481700 6 8.9970000000 0.43440100 7 3.3190000000 0.34612900 8 0.3643000000 -0.00898300 S 8 1 8236.0000000000 -0.00011300 2 1235.0000000000 -0.00087800 3 280.8000000000 -0.00454000 4 79.2700000000 -0.01813300 5 25.5900000000 -0.05576000 6 8.9970000000 -0.12689500 7 3.3190000000 -0.17035200 8 0.3643000000 0.59868400 S 1 1 0.9059000000 1.00000000 S 1 1 0.1285000000 1.00000000 P 3 1 18.7100000000 0.01403100 2 4.1330000000 0.08686600 3 1.2000000000 0.29021600 P 1 1 0.3827000000 1.00000000 P 1 1 0.1209000000 1.00000000 D 1 1 1.0970000000 1.00000000 D 1 1 0.3180000000 1.00000000 F 1 1 0.7610000000 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