%chk=000267953.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267953

0 1
O -1.817253 1.250734 1.171959
O -4.850668 -0.029627 0.761292
O 3.915500 -0.609242 -0.658044
O -2.203543 1.221121 -1.057563
O -3.452597 -1.757056 0.181435
O 4.719591 -0.558689 1.522544
N -5.367482 -1.227746 -1.076571
N 5.935906 -1.462002 -0.261874
C -0.021583 0.609108 -0.200094
C -3.206691 1.599909 1.421213
C -3.955105 0.340395 1.845167
C 0.726360 0.374972 0.965130
C 0.563771 0.431063 -1.470215
C 2.615277 -0.196088 -0.391921
C -1.432532 1.032796 -0.142484
C 2.058970 -0.029047 0.878650
C 1.889073 0.028849 -1.578193
C -4.423334 -1.073609 -0.063078
C 4.870197 -0.841640 0.358825
C -4.968023 -2.002565 -2.273488
C 7.207917 -1.633136 0.470415
H -3.655653 2.059534 0.516262
H -3.120620 2.343763 2.233080
H -3.263344 -0.495643 2.081494
H -4.652523 0.515039 2.683718
H 0.257131 0.511069 1.945076
H -0.036392 0.612009 -2.367704
H 2.649043 -0.204608 1.783846
H 2.366926 -0.116634 -2.544567
H -6.023689 -0.463552 -1.238709
H 5.945375 -1.587096 -1.271130
H -4.474796 -1.378145 -3.037412
H -4.266041 -2.812425 -1.992197
H -5.866666 -2.469868 -2.710815
H 7.052637 -1.530031 1.563075
H 7.606414 -2.645520 0.280486
H 7.958547 -0.885393 0.161591


%chk=000267953-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267953

0 1
O -2.344813 1.394753 0.607892
O -4.712589 -0.308396 0.299986
O 3.814849 0.001089 -0.509135
O -1.695862 3.417698 -0.352883
O -3.108522 -1.653071 1.421119
O 3.538603 -2.313327 0.046347
N -4.033771 -2.247716 -0.658544
N 5.609834 -1.355672 -0.516423
C -0.074790 1.602662 -0.086230
C -3.726579 1.904127 0.747242
C -4.548072 0.753116 1.314012
C 0.156070 0.276216 0.362888
C 0.990993 2.343481 -0.662437
C 2.477520 0.440346 -0.338990
C -1.407032 2.252574 0.021881
C 1.429766 -0.316367 0.241564
C 2.264213 1.766361 -0.789510
C -3.863486 -1.439511 0.439405
C 4.256270 -1.342338 -0.287074
C -3.321474 -3.518829 -0.808683
C 6.408274 -2.577548 -0.388536
H -4.099653 2.232035 -0.239356
H -3.734430 2.771905 1.434339
H -4.063499 0.327067 2.210305
H -5.568345 1.098008 1.553206
H -0.667468 -0.290383 0.809314
H 0.799291 3.365795 -1.003758
H 1.606192 -1.338380 0.577554
H 3.100034 2.317703 -1.229577
H -4.673697 -1.922464 -1.383242
H 6.048128 -0.474210 -0.784375
H -2.666431 -3.509826 -1.699460
H -2.695189 -3.664313 0.085591
H -4.026348 -4.366976 -0.889489
H 5.733744 -3.397385 -0.095783
H 6.890829 -2.841325 -1.347412
H 7.187539 -2.465899 0.387452


