%chk=000250927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250927

0 1
O 3.248901 -0.267684 0.133552
O -1.233380 -3.689349 0.263658
N -2.319421 -0.135151 -0.037182
N -4.568027 3.292636 -2.767683
N -2.411581 -0.836660 4.842240
C -1.618584 -1.118431 -0.914749
C -3.357066 0.653050 -0.726043
C -2.666085 -0.651724 1.306159
C -0.273807 -1.555089 -0.348978
C 0.836428 -0.673594 -0.382076
C -2.727485 1.851203 -1.503702
C -1.834318 0.074168 2.411973
C -0.101807 -2.839479 0.221241
C 2.094794 -1.067357 0.130627
C 4.540344 1.719978 -0.336116
C 3.155724 1.080983 -0.456129
C 1.156163 -3.239486 0.737534
C 2.250587 -2.359751 0.692112
C 4.580870 3.145891 -0.935103
C 5.977589 3.791766 -0.813582
C -3.736316 2.656356 -2.211288
C -2.142399 -0.417631 3.765305
H -2.248831 -2.016101 -1.094986
H -1.452140 -0.630757 -1.893754
H -3.961843 0.041661 -1.436043
H -4.056767 1.059113 0.025229
H -3.744423 -0.513729 1.517803
H -2.467915 -1.737922 1.361972
H 0.687494 0.323112 -0.809775
H -1.990182 1.479405 -2.240282
H -2.177653 2.489856 -0.788189
H -2.029911 1.161741 2.366119
H -0.759855 -0.073583 2.200035
H 4.829700 1.751466 0.731729
H 5.278201 1.074692 -0.850221
H 2.844879 1.001434 -1.519811
H 2.394034 1.675922 0.091906
H 1.281506 -4.236875 1.178191
H 4.283539 3.108172 -2.003051
H 3.832707 3.785136 -0.423147
H 3.229412 -2.650241 1.084181
H 6.739577 3.189949 -1.343181
H 5.989535 4.808999 -1.245041
H 6.287491 3.868802 0.245350
H -0.997880 -4.565392 0.656596


%chk=000250927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250927

0 1
O 3.183976 -0.567532 -0.183827
O -1.174522 -4.142520 -0.346303
N -2.023753 -0.034061 0.044326
N -4.857633 2.534742 -3.072722
N -1.521830 1.489398 4.714120
C -1.797687 -1.398117 -0.507901
C -3.186140 0.652040 -0.562420
C -2.013401 -0.007058 1.526347
C -0.355851 -1.872125 -0.363017
C 0.720351 -0.953402 -0.332003
C -2.792087 1.307507 -1.918766
C -1.489396 1.360646 2.051913
C -0.071101 -3.257355 -0.294352
C 2.056839 -1.406724 -0.227114
C 4.325829 1.564044 -0.145363
C 2.956110 0.887529 -0.225738
C 1.264410 -3.715335 -0.189389
C 2.327316 -2.794699 -0.154254
C 4.215789 3.106806 -0.164594
C 5.595937 3.794712 -0.095441
C -3.926703 1.985635 -2.566737
C -1.504965 1.441437 3.521892
H -2.474977 -2.152018 -0.048035
H -2.060583 -1.377663 -1.584051
H -4.049125 -0.034965 -0.721735
H -3.536590 1.446157 0.120303
H -3.016882 -0.215621 1.963842
H -1.332217 -0.799954 1.879395
H 0.469437 0.109714 -0.389323
H -2.393615 0.540719 -2.609424
H -1.978074 2.034370 -1.742900
H -2.099428 2.190893 1.647814
H -0.456671 1.508614 1.685794
H 4.835103 1.233871 0.780227
H 4.946924 1.219492 -0.994359
H 2.433682 1.156955 -1.168522
H 2.314602 1.188363 0.631237
H 1.477383 -4.790783 -0.134427
H 3.688504 3.429884 -1.085683
H 3.592740 3.444482 0.688875
H 3.365317 -3.128663 -0.069587
H 6.228312 3.501175 -0.954076
H 5.498199 4.895392 -0.107441
H 6.133302 3.512491 0.829110
H -0.875034 -5.078967 -0.242291


