%chk=000193982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193982

0 1
O 2.119086 0.204694 -1.113354
O 1.800276 1.814960 1.447198
O 0.971686 -2.865432 1.247225
N -0.081565 0.473660 1.062406
N -0.311778 -0.933659 0.988478
C 1.974914 -0.639943 1.589630
C 3.010429 -0.870800 -0.739098
C 3.257447 -0.825214 0.781527
C 4.301022 -0.657026 -1.550494
C 1.322205 0.716753 1.322149
C 0.897082 -1.662333 1.240118
C 4.291132 0.832783 -1.940818
C 2.896946 1.350461 -1.560424
C -0.943623 1.370226 0.337496
C -1.493873 -1.444374 0.353446
C -2.118611 0.881865 -0.287312
C -2.413038 -0.555269 -0.257629
C -0.642979 2.743194 0.326393
C -1.741066 -2.827414 0.385815
C -2.968532 1.802807 -0.919052
C -3.582452 -1.091542 -0.817824
C -1.510867 3.632770 -0.307260
C -2.912415 -3.327870 -0.183557
C -2.671364 3.166414 -0.931431
C -3.833572 -2.464272 -0.783131
H 2.208507 -0.718578 2.684898
H 2.445760 -1.781549 -1.031860
H 3.949846 0.009474 1.026044
H 3.763813 -1.759580 1.099318
H 4.298918 -1.296560 -2.451540
H 5.207952 -0.926003 -0.986066
H 5.082138 1.390744 -1.410957
H 4.489996 0.961091 -3.018489
H 2.909746 2.069318 -0.721830
H 2.315582 1.749611 -2.405631
H 0.262211 3.120525 0.813811
H -1.025575 -3.512526 0.852543
H -3.876724 1.446638 -1.408902
H -4.306547 -0.424712 -1.289683
H -1.278470 4.697668 -0.311364
H -3.106162 -4.400290 -0.155850
H -3.344097 3.864706 -1.425520
H -4.746685 -2.860518 -1.223322


%chk=000193982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193982

0 1
O 2.297074 -0.126798 -1.323948
O 1.870004 1.920027 1.101296
O 1.008346 -2.846845 1.142452
N -0.011003 0.532474 0.661409
N -0.258681 -0.895972 0.649243
C 1.937412 -0.551068 1.441575
C 3.285303 -1.041949 -0.690869
C 3.338332 -0.795624 0.835688
C 4.616224 -0.734493 -1.408196
C 1.321165 0.784159 1.038676
C 0.887252 -1.591308 1.071668
C 4.527566 0.797002 -1.657907
C 3.020821 1.030764 -1.926085
C -1.009749 1.449717 0.231604
C -1.505865 -1.415246 0.195313
C -2.274040 0.951423 -0.209333
C -2.524650 -0.509637 -0.232276
C -0.743392 2.843241 0.259314
C -1.718889 -2.817616 0.179107
C -3.249624 1.897179 -0.614123
C -3.753799 -1.063393 -0.671157
C -1.738851 3.751423 -0.152641
C -2.955114 -3.328844 -0.263922
C -2.996980 3.282607 -0.590801
C -3.977967 -2.453838 -0.690681
H 2.040554 -0.550006 2.546420
H 2.912910 -2.062252 -0.889162
H 3.955289 0.092430 1.070032
H 3.796363 -1.673778 1.327218
H 4.659012 -1.279515 -2.368131
H 5.497731 -1.016624 -0.806478
H 4.851381 1.355236 -0.762063
H 5.157158 1.117076 -2.505016
H 2.644484 1.954959 -1.451946
H 2.780365 1.039023 -3.005153
H 0.231798 3.193713 0.598819
H -0.919948 -3.483329 0.507174
H -4.228524 1.549440 -0.955753
H -4.554748 -0.399222 -1.007388
H -1.524670 4.825110 -0.127568
H -3.111410 -4.412612 -0.273930
H -3.772839 3.985808 -0.910121
H -4.939102 -2.847948 -1.036264


