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

Optimization Benzpyrimoxan CONF28 water

0 1
F   -5.3110658134   1.9043038061  -1.0641011767
F   -4.2603834662   2.8518608217   0.5528994641
F   -5.4793826146   1.1223655426   0.9280403362
O    3.1172487921   0.7783393624  -0.9464806650
O    2.4124547640   0.7012373847   1.2649826837
O    1.0810051219  -1.2550299506  -0.4775129815
N    2.1563197673  -3.2607487347  -0.2335566303
N    4.3935126242  -3.3395816532   0.5329663746
C    3.3601941496   0.2596549303   0.3317725563
C    2.1687178844   2.7670927838   0.0364590070
C    3.1644373128   2.2016800667  -0.9570846863
C    2.4077763295   2.1204999874   1.3871391876
C    3.3010339644  -1.2329933820   0.2532412156
C    2.1626249407  -1.9454645231  -0.1589990609
C    4.3866575594  -2.0047762908   0.5908348271
C   -0.1469511230  -1.9281662508  -0.7340339153
C   -1.2655724278  -0.9418690087  -0.5616617711
C   -2.4340447008  -1.1037326351  -1.2986417214
C   -1.1950712290   0.0936568714   0.3644047602
C   -3.4365729791   0.7730750402  -0.1850365252
C   -3.5169536428  -0.2602679922  -1.1112783500
C   -2.2715036944   0.9458891513   0.5512113112
C    3.2722086863  -3.8896175470   0.1164629137
C   -4.6156895197   1.6624137984   0.0533417948
H    4.3665424457   0.5687420396   0.6658991265
H    2.2922498108   3.8484962352   0.1143174903
H    1.1468780100   2.5734197865  -0.2996003856
H    4.1793344203   2.5421014069  -0.7128390863
H    2.9441812846   2.5155596740  -1.9767680720
H    1.6238084958   2.3704451169   2.1008196008
H    3.3646330298   2.4583373933   1.8058316833
H   -0.2793194994  -2.7582932843  -0.0367379660
H   -0.1472436269  -2.3432943172  -1.7441778812
H    5.2995775592  -1.5266104710   0.9285128010
H   -2.5031966616  -1.8995927777  -2.0300064919
H   -0.3035139487   0.2509609193   0.9549655759
H   -4.4113489501  -0.4174739656  -1.6993643834
H   -2.1824500363   1.7398702515   1.2800917379
H    3.2490157799  -4.9706691031   0.0523130066

--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 CONF28 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 CONF28 water

0 1

--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 CONF28 water

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