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

Optimization Benzpyrimoxan CONF30 water

0 1
F   -5.7257919914   1.3091422598   0.3912348192
F   -4.8064171793   2.1196137903  -1.3760482121
F   -4.2905633537   2.9024353313   0.5546050070
O    2.6282707035   0.7210466946  -1.0659206728
O    2.8814383145   0.6770254359   1.2420847280
O    1.0143199109  -1.3199542752   0.2741005235
N    2.1256783453  -3.3089737310   0.0869400922
N    4.4707065557  -3.3499117040  -0.2139520026
C    3.3821455609   0.2348344339   0.0106400815
C    2.1066118000   2.7101953704   0.1998648354
C    2.6248142253   2.1447961056  -1.1085094679
C    2.8946611171   2.0966870601   1.3410381681
C    3.3317243024  -1.2600793792  -0.0130072907
C    2.1405084206  -1.9919631780   0.1165412128
C    4.4681323115  -2.0141299725  -0.1777607745
C   -0.2260292009  -2.0186624142   0.2936570339
C   -1.3291692448  -1.0058541280   0.2104587330
C   -1.1892442745   0.1794285502  -0.5081799279
C   -2.5446657450  -1.2826006021   0.8232321817
C   -3.4613940854   0.7764237933   0.0047538082
C   -2.2461331180   1.0664524559  -0.6070930766
C   -3.6104691100  -0.4018483376   0.7213376564
C    3.2922127441  -3.9201303707  -0.0777100101
C   -4.5735863766   1.7677659031  -0.1036711513
H    4.4284307334   0.5703047050  -0.0995918402
H    2.2198637036   3.7955093333   0.2086700271
H    1.0426476969   2.4865754144   0.3129297006
H    3.6412572815   2.5110653222  -1.3037762890
H    1.9978129671   2.4325363028  -1.9516405244
H    2.4673059127   2.3488902941   2.3110529073
H    3.9303264854   2.4610922317   1.3252669536
H   -0.3172319945  -2.6100589285   1.2070334906
H   -0.2872219167  -2.7055656073  -0.5539389413
H    5.4280166267  -1.5223081368  -0.2891764100
H   -0.2558056466   0.4233733569  -0.9972530099
H   -2.6659577936  -2.1956163156   1.3927435828
H   -2.1120572148   1.9825960580  -1.1683352458
H   -4.5424576995  -0.6465041000   1.2118612431
H    3.2625121541  -5.0025920203  -0.1037962818

--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 CONF30 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 CONF30 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 CONF30 water

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