%chk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization Benzpyrimoxan CONF55 water

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F   -5.1043125464   2.1362473066  -1.3782284847
F   -4.7189255834   2.5538077404   0.6946403863
F   -5.9668852745   0.8921033693   0.1463718711
O    4.1502616667   0.9186701472   1.0685417711
O    2.9435585395   0.8177677335  -0.9053392906
O    0.8310564851  -1.2674770209  -0.0301049800
N    2.0393636377  -3.2062715685   0.1318045524
N    4.3603277814  -3.1298948526   0.5703358098
C    3.0232615034   0.3964030121   0.4315830115
C    3.9885693611   2.9051722664  -0.2971589034
C    4.1136044749   2.3419966479   1.1059367021
C    2.8207762649   2.2338385917  -0.9956210855
C    3.1131274326  -1.0998529827   0.4232298838
C    1.9825228286  -1.8905445957   0.1699852574
C    4.2848298386  -1.7954624364   0.6102913937
C   -0.3534135607  -2.0525834351  -0.2272721001
C   -1.5091864892  -1.1005740056  -0.2338987990
C   -2.1061369923  -0.7147326888  -1.4262654654
C   -1.9959133169  -0.5856023029   0.9647357958
C   -3.6611395440   0.6653671885  -0.2284585432
C   -3.1817759214   0.1618757357  -1.4293106858
C   -3.0656495344   0.2906388394   0.9726926206
C    3.2284157021  -3.7586420804   0.3349043103
C   -4.8564460002   1.5642481297  -0.1969321731
H    2.1204475148   0.7302453077   0.9715033418
H    3.8277780830   3.9836897448  -0.2517095728
H    4.9113911913   2.7325268948  -0.8559623318
H    3.2693856269   2.6727181437   1.7247371560
H    5.0320273404   2.6676184615   1.5930764734
H    2.7872366985   2.4808874605  -2.0562937031
H    1.8719621985   2.5542255749  -0.5453685365
H   -0.4583508891  -2.7786004418   0.5800960508
H   -0.2881803955  -2.5954701101  -1.1714394952
H    5.2128156244  -1.2739337978   0.8054427857
H   -1.7360686218  -1.1058743868  -2.3654833292
H   -1.5428438942  -0.8797497628   1.9032779931
H   -3.6315976135   0.4376576130  -2.3731810262
H   -3.4309245052   0.6692678527   1.9183386921
H    3.2634782702  -4.8408190239   0.3020273925

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction Benzpyrimoxan CONF55 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum Benzpyrimoxan CONF55 water

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--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point Benzpyrimoxan CONF55 water

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