%chk=000215504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215504

0 1
S 1.401023 0.556148 -1.835193
S 6.552413 -0.310544 -0.255829
O 1.273951 -1.133411 0.239646
N -2.576736 0.543838 -0.867876
N -5.231345 -0.028082 0.152836
N 3.397771 -0.283113 -0.212697
N 3.261212 1.143159 -2.058159
C -3.388847 1.600582 -0.179469
C -2.911280 -0.794108 -0.279388
C -4.888284 1.317623 -0.403806
C -4.407095 -1.093329 -0.499750
C -1.106338 0.838867 -0.746586
C -6.601963 -0.311180 0.400512
C -0.350377 0.034041 -1.797162
C -7.524895 0.737757 0.630134
C -7.045562 -1.648085 0.546034
C -8.836647 0.449258 0.999554
C -8.361649 -1.913838 0.916166
C 1.972807 -0.430034 -0.435772
C -9.267949 -0.873094 1.142662
C 4.078171 -0.812760 0.948533
C 4.095322 0.500902 -1.170200
C 5.482323 -0.841438 1.025541
C 5.495326 0.629719 -1.266130
C 3.334939 -1.294442 2.044262
C 6.132604 -1.338722 2.158783
C 6.036118 1.464052 -2.240867
C 3.988545 -1.801201 3.167718
C 5.385406 -1.826927 3.231923
C 5.178761 2.129728 -3.129819
C 3.797355 1.936703 -3.027490
H -3.179075 1.668160 0.910463
H -3.136466 2.584616 -0.629389
H -2.303461 -1.566396 -0.799858
H -2.667808 -0.863291 0.803799
H -5.488617 2.098322 0.115605
H -5.125918 1.378684 -1.489770
H -4.623812 -1.161139 -1.589486
H -4.651921 -2.080779 -0.047058
H -0.954917 1.927307 -0.922880
H -0.708189 0.619314 0.269561
H -0.439192 -1.051667 -1.620876
H -0.753818 0.221393 -2.809743
H -7.211111 1.774783 0.534257
H -6.356615 -2.474460 0.384721
H -9.534638 1.267125 1.177133
H -8.687582 -2.947694 1.028540
H -10.292261 -1.089105 1.427395
H 2.238528 -1.290732 2.026837
H 7.223827 -1.348599 2.211050
H 7.118293 1.596057 -2.323478
H 3.397794 -2.178954 4.003860
H 5.887625 -2.222425 4.113128
H 5.585429 2.785115 -3.898378
H 3.087823 2.414695 -3.715547


%chk=000215504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215504

0 1
S 1.320633 1.025615 -2.108813
S 5.589472 -1.675902 -1.186326
O 1.021113 -0.470366 0.167857
N -2.703845 0.743810 -1.022462
N -5.225994 -0.057227 0.158666
N 3.243805 0.082217 -0.322172
N 3.994690 2.100032 -1.374308
C -3.780713 1.732320 -0.790341
C -2.748807 -0.292753 0.039296
C -5.163332 1.052327 -0.812349
C -4.103471 -1.015664 0.014551
C -1.358133 1.344405 -1.182600
C -6.487540 -0.507838 0.622570
C -0.484171 0.444514 -2.076825
C -7.710758 0.042466 0.128015
C -6.581202 -1.509489 1.639393
C -8.956666 -0.378643 0.640212
C -7.831055 -1.927996 2.134514
C 1.852290 0.122155 -0.565084
C -9.035314 -1.367321 1.645584
C 3.756729 -0.745686 0.754851
C 4.209150 0.784382 -1.126821
C 4.851217 -1.608334 0.500229
C 5.363163 0.094325 -1.585310
C 3.200633 -0.693370 2.054141
C 5.377428 -2.426428 1.521941
C 6.307348 0.799413 -2.360565
C 3.710980 -1.527301 3.071119
C 4.794507 -2.396989 2.807979
C 6.060973 2.157253 -2.666242
C 4.893910 2.765871 -2.151827
H -3.655257 2.253744 0.192885
H -3.748295 2.495611 -1.589737
H -1.938588 -1.024404 -0.123053
H -2.592611 0.164775 1.048603
H -5.918918 1.810959 -0.544328
H -5.376695 0.697592 -1.847912
H -4.195098 -1.569669 -0.947568
H -4.130337 -1.752083 0.831802
H -1.465216 2.336816 -1.658457
H -0.848563 1.499695 -0.203525
H -0.478291 -0.594800 -1.715220
H -0.817122 0.468210 -3.126972
H -7.700421 0.783807 -0.676002
H -5.673687 -1.944865 2.069054
H -9.874394 0.064372 0.235080
H -7.862733 -2.692554 2.919902
H -10.004427 -1.694412 2.036283
H 2.362022 -0.022492 2.250629
H 6.234162 -3.075098 1.312637
H 7.210729 0.295726 -2.718480
H 3.263949 -1.493192 4.069921
H 5.192839 -3.040223 3.599362
H 6.764408 2.733319 -3.274355
H 4.664501 3.817769 -2.351426


