%chk=000245984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245984

0 1
O -1.796592 2.314681 -0.816399
O -1.999157 -2.568083 0.001424
O -1.280743 2.410364 1.428420
O -0.410404 -1.090716 0.771032
N 0.357389 2.297248 -0.264550
N 0.072962 -2.780409 -0.794230
C -3.231093 1.969122 -0.632662
C -3.119817 -1.911378 0.738388
C -3.888482 2.946417 0.327520
C -3.733155 2.088068 -2.070339
C -4.290898 -2.785242 0.299412
C -2.828941 -1.965719 2.229644
C -3.267661 0.593287 -0.149388
C -3.229329 -0.543239 0.249439
C -0.936190 2.326541 0.272564
C -0.728550 -2.027911 0.074983
C 1.562714 2.271963 0.504545
C 1.464291 -2.538102 -1.029142
C 2.780228 2.256531 -0.207622
C 2.129972 -3.414312 -1.911119
C 1.555487 2.268202 1.910569
C 2.151518 -1.472410 -0.423065
C 3.982019 2.244552 0.501705
C 3.485051 -3.210303 -2.175576
C 2.770039 2.252648 2.595683
C 3.505724 -1.290125 -0.703986
C 3.984305 2.242210 1.899793
C 4.177106 -2.152438 -1.577402
H -3.460285 2.858082 1.343464
H -3.729451 3.985338 0.013388
H -4.966886 2.774796 0.407548
H -4.792949 1.820000 -2.143811
H -3.609982 3.111895 -2.447298
H -3.167721 1.430303 -2.745121
H -4.147967 -3.826892 0.615716
H -5.234399 -2.425146 0.726082
H -4.394159 -2.794476 -0.794419
H -3.678142 -1.605690 2.821565
H -1.962307 -1.328749 2.488701
H -2.589603 -2.983430 2.558649
H 0.441867 2.210721 -1.282200
H -0.367895 -3.556750 -1.295290
H 2.791891 2.255745 -1.294147
H 1.604895 -4.240725 -2.381544
H 0.608644 2.269649 2.460869
H 1.638484 -0.791623 0.266377
H 4.925719 2.240039 -0.042954
H 4.005804 -3.884598 -2.855113
H 2.768897 2.247509 3.685942
H 4.039524 -0.462449 -0.232850
H 4.924587 2.232852 2.444627
H 5.232644 -2.002449 -1.788523


%chk=000245984-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245984

0 1
O -1.809263 2.429276 -0.826407
O -1.930580 -2.616397 0.047017
O -1.423199 2.320960 1.519357
O -0.316018 -0.943757 0.528917
N 0.314278 2.390072 -0.090213
N 0.143085 -2.843688 -0.805297
C -3.269002 2.006337 -0.732545
C -3.037607 -1.875230 0.789431
C -4.060583 2.999643 0.147161
C -3.721184 2.063494 -2.206337
C -4.269761 -2.758362 0.508319
C -2.692555 -1.818726 2.295033
C -3.307348 0.626446 -0.208665
C -3.198117 -0.524107 0.218055
C -1.001964 2.362346 0.340484
C -0.651135 -2.018879 -0.021098
C 1.493467 2.381062 0.699426
C 1.515432 -2.666518 -1.137244
C 2.738229 2.402211 0.012891
C 2.112462 -3.642930 -1.980167
C 1.473402 2.349872 2.119259
C 2.291374 -1.573932 -0.665507
C 3.948423 2.394572 0.735646
C 3.468559 -3.530198 -2.347226
C 2.694522 2.344474 2.826658
C 3.648269 -1.477495 -1.042805
C 3.935909 2.367218 2.149955
C 4.247715 -2.445374 -1.880866
H -3.706327 2.965967 1.187490
H -3.929475 4.021545 -0.249890
H -5.134875 2.743976 0.117923
H -4.782907 1.772877 -2.283773
H -3.600932 3.090974 -2.589919
H -3.118573 1.378037 -2.823977
H -4.096899 -3.773870 0.903516
H -5.158005 -2.328200 1.001246
H -4.461117 -2.823192 -0.575179
H -3.548681 -1.399237 2.851947
H -1.814244 -1.179534 2.468521
H -2.492736 -2.839425 2.666095
H 0.429397 2.356338 -1.105144
H -0.328955 -3.670046 -1.178566
H 2.756174 2.423760 -1.084477
H 1.515431 -4.488253 -2.346170
H 0.515893 2.319857 2.642757
H 1.837544 -0.823502 -0.015302
H 4.900320 2.416724 0.192796
H 3.915353 -4.291115 -2.996811
H 2.671800 2.318447 3.922077
H 4.236505 -0.632426 -0.667139
H 4.875527 2.362712 2.712429
H 5.301976 -2.359405 -2.164382


