%chk=000250382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250382

0 1
S 5.329719 -0.348702 0.156571
O 3.597846 1.965105 1.476128
O 3.167150 -0.481941 -2.457239
N 2.485038 1.596113 -0.534966
N 2.681611 -2.033420 -0.804624
N 1.257750 1.853779 0.017828
N 1.331616 -1.906101 -1.035568
N -5.692490 3.166700 2.625802
N -6.096767 -1.385510 -2.041230
C 4.918048 1.326557 -0.447838
C 5.036236 -1.409012 -1.299918
C 6.034747 2.265194 -0.045944
C 5.521375 -2.797138 -0.949142
C 3.626819 1.668690 0.306984
C 3.551176 -1.265064 -1.605631
C 0.156246 1.605338 -0.644407
C 0.447272 -2.394757 -0.211243
C -1.103641 1.962935 0.064710
C -0.972789 -2.182656 -0.612638
C -2.226863 2.391744 -0.663181
C -1.477229 -2.792130 -1.770855
C -1.180122 1.869093 1.466507
C -1.796002 -1.364810 0.176561
C 0.042538 1.007957 -2.010940
C 0.685216 -3.124879 1.072236
C -3.416225 2.704336 -0.004628
C -2.808626 -2.590968 -2.138301
C -2.364746 2.182974 2.131097
C -3.125372 -1.155015 -0.190564
C -3.488016 2.594412 1.393999
C -3.631708 -1.771426 -1.347771
C -4.708600 2.911749 2.074400
C -4.996829 -1.557874 -1.729817
H 4.788178 1.330503 -1.557438
H 5.604472 -1.021837 -2.187062
H 6.143690 2.331887 1.050535
H 5.838985 3.289373 -0.398171
H 7.005278 1.956946 -0.456325
H 5.156275 -3.164594 0.019474
H 6.622243 -2.831224 -0.896927
H 5.219939 -3.529727 -1.713753
H 2.558706 1.220423 -1.501686
H 3.042004 -2.550476 0.005899
H -2.173001 2.491507 -1.747835
H -0.826255 -3.412571 -2.388786
H -0.295234 1.571930 2.038483
H -1.393836 -0.878380 1.067516
H 0.017058 1.780282 -2.790918
H -0.860331 0.388881 -2.116962
H 0.884627 0.327527 -2.252806
H 1.253894 -4.052659 0.917730
H 1.232089 -2.503212 1.798473
H -0.255444 -3.419655 1.563715
H -4.286456 3.037581 -0.572319
H -3.207569 -3.063784 -3.037182
H -2.417754 2.117411 3.218744
H -3.766438 -0.509904 0.414224


%chk=000250382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250382

0 1
S 5.490649 -0.943903 0.000574
O 3.262217 0.818638 1.792349
O 2.964926 -0.716327 -2.990270
N 2.525221 1.345656 -0.374932
N 2.625311 -1.783283 -0.924187
N 1.216253 1.527377 0.044842
N 1.242808 -1.763119 -1.048589
N -6.075532 2.746625 1.817759
N -6.353408 -1.855947 -1.146624
C 4.926854 0.901735 -0.008901
C 4.929853 -1.479054 -1.749588
C 5.922813 1.701742 0.847665
C 5.381563 -2.939468 -1.960237
C 3.506559 1.010823 0.571102
C 3.419526 -1.292100 -1.957395
C 0.276082 1.697149 -0.877213
C 0.516888 -1.944704 0.048268
C -1.091022 1.915763 -0.330160
C -0.953050 -1.939995 -0.176697
C -2.257896 1.773373 -1.130811
C -1.469415 -2.171157 -1.486325
C -1.253221 2.270643 1.043067
C -1.872767 -1.689150 0.878543
C 0.553867 1.665586 -2.368355
C 1.111291 -2.105652 1.435674
C -3.540847 1.975656 -0.587545
C -2.849946 -2.154197 -1.732228
C -2.526319 2.481591 1.590636
C -3.259319 -1.661826 0.639296
C -3.688978 2.337401 0.778319
C -3.762653 -1.897650 -0.668508
C -4.994526 2.559172 1.340157
C -5.178161 -1.874987 -0.922888
H 4.970704 1.217975 -1.067657
H 5.430516 -0.815416 -2.473379
H 5.885457 1.357647 1.894862
H 5.655907 2.774668 0.836177
H 6.949169 1.585926 0.462269
H 4.935782 -3.618093 -1.211856
H 6.480129 -3.017863 -1.891721
H 5.071225 -3.282520 -2.963416
H 2.771415 1.349031 -1.375806
H 3.101568 -2.019830 -0.038194
H -2.178919 1.477134 -2.181026
H -0.760873 -2.363941 -2.296645
H -0.356097 2.377285 1.659077
H -1.511879 -1.479613 1.889950
H 1.297431 2.439644 -2.647875
H -0.346658 1.868659 -2.963720
H 0.963973 0.682724 -2.677772
H 1.865835 -2.917065 1.462016
H 1.609183 -1.170170 1.762339
H 0.348103 -2.367153 2.181915
H -4.430411 1.852476 -1.213143
H -3.235697 -2.345134 -2.738649
H -2.636045 2.766040 2.641949
H -3.955937 -1.451323 1.456509


