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

Optimization Bromopropylate CONF4 water

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Br   5.0991373711  -1.7674004786   0.3071791689
Br  -5.2499717317  -1.8723768452   0.2831434755
O    0.4409613173   2.6283616351   0.6860288296
O   -0.0927236502   1.4108985569  -2.5659096330
O   -0.4219270788   3.6355949177  -1.1168535034
C   -0.1001271554   1.2473952373  -1.1727552028
C    1.1637239901   0.4802110852  -0.8083561380
C   -1.3607934075   0.4999925314  -0.7401041076
C   -0.0511402895   2.6496965402  -0.5292356081
C    0.5495309036   3.8658184098   1.4439283064
C    2.3204553167   0.6569327720  -1.5612174452
C   -1.7727507819  -0.5724916248  -1.5292637617
C    1.2053524819  -0.3718213084   0.2890671383
C   -2.1172334654   0.8289404567   0.3778456780
C    3.4919905446  -0.0091808475  -1.2343788303
C   -2.9169102906  -1.2892771164  -1.2246769458
C    2.3704613108  -1.0420846867   0.6314669238
C   -3.2699836313   0.1208326218   0.6955523244
C   -0.7861722289   4.2134135459   2.0669149233
C    1.6288531122   3.6248006025   2.4741742816
C    3.5078097456  -0.8567100698  -0.1383792246
C   -3.6666948343  -0.9281969465  -0.1145031603
H    0.8645454144   4.6581922184   0.7621316517
H    2.3339019650   1.3202137400  -2.4146297602
H   -1.2014748197  -0.8661227318  -2.3994756287
H    0.3255861821  -0.5291689927   0.8988403776
H   -1.8370878188   1.6389349191   1.0365325790
H   -0.8680722253   1.9238624434  -2.8271643091
H    4.3753370551   0.1424529375  -1.8397251000
H   -3.2133965137  -2.1141311961  -1.8583593193
H    2.3736361034  -1.6985087723   1.4911823893
H   -3.8413342784   0.4060936261   1.5685354398
H   -1.1208300940   3.4285976071   2.7467851145
H   -0.6807849824   5.1322865536   2.6441662104
H   -1.5615273211   4.3830238345   1.3204606776
H    2.5826967552   3.3805404429   2.0065215405
H    1.3570701899   2.8189906267   3.1574350069
H    1.7710588892   4.5299034395   3.0639217937

--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 Bromopropylate CONF4 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 Bromopropylate CONF4 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 Bromopropylate CONF4 water

0 1