%chk=000220589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220589

0 1
O -4.272802 -1.340445 -0.450474
O -3.298623 1.961491 -1.141307
O -2.364834 -2.303592 0.296019
O -2.748086 1.407744 0.987197
O 6.204780 -0.971360 0.005942
O 6.099067 1.157140 0.370962
N 5.585591 0.059279 0.219904
C -0.773863 -0.181423 -0.893054
C -0.162595 -0.276993 0.511835
C -2.312528 -0.138435 -0.887236
C 1.333856 -0.188767 0.442952
C -2.913359 -1.382661 -0.253800
C -2.796721 1.117863 -0.181629
C 1.978255 1.049399 0.612780
C 2.096677 -1.345523 0.201258
C 3.366611 1.135917 0.543231
C 3.485165 -1.271162 0.129252
C 4.115401 -0.026949 0.298573
C -5.051575 -2.435292 0.108577
C -3.826282 3.237883 -0.683070
H -0.442406 -1.051397 -1.499719
H -0.390751 0.720315 -1.415644
H -0.478444 -1.234111 0.993352
H -0.581000 0.513598 1.175412
H -2.672375 -0.100909 -1.959720
H 1.390031 1.947160 0.805232
H 1.597926 -2.307812 0.074883
H 3.880323 2.094394 0.676373
H 4.090295 -2.165516 -0.056172
H -5.065269 -2.338225 1.198864
H -4.623707 -3.396553 -0.194256
H -6.041600 -2.268275 -0.330186
H -3.086175 3.750090 -0.060052
H -4.750985 3.060016 -0.124928
H -4.011496 3.768812 -1.623349


%chk=000220589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220589

0 1
O -4.220247 -1.381648 -0.345740
O -3.454972 2.034436 -1.231599
O -2.133710 -2.381829 -0.103334
O -3.078862 1.311375 0.951287
O 6.155787 -1.446789 0.060243
O 6.316503 0.805220 0.383453
N 5.629815 -0.282438 0.255482
C -0.766249 0.021859 -0.910469
C -0.171522 0.078949 0.525856
C -2.317885 -0.061137 -0.975931
C 1.344063 -0.007395 0.484664
C -2.833707 -1.393277 -0.414939
C -2.988404 1.125841 -0.282106
C 2.153362 1.151288 0.623931
C 1.980326 -1.261645 0.271112
C 3.557985 1.073438 0.550697
C 3.381383 -1.364024 0.196617
C 4.153535 -0.188392 0.335150
C -4.858675 -2.616348 0.178006
C -4.099856 3.257000 -0.687656
H -0.369574 -0.873100 -1.424165
H -0.434577 0.905069 -1.488302
H -0.576769 -0.769462 1.105123
H -0.494401 1.006013 1.030382
H -2.622369 -0.024885 -2.039042
H 1.675497 2.122211 0.797558
H 1.364187 -2.163154 0.173763
H 4.194219 1.955852 0.658156
H 3.885290 -2.321210 0.038790
H -4.503356 -2.818105 1.201872
H -4.615269 -3.473795 -0.471222
H -5.935276 -2.399531 0.165959
H -3.385185 3.820161 -0.064455
H -4.975550 2.981127 -0.077272
H -4.397034 3.834026 -1.573868


