%chk=000202699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202699

0 1
S -3.064403 -3.414830 -0.415891
S -4.176443 -1.724499 -0.694080
N 0.644373 -1.952762 0.378234
N -9.375146 3.720017 -0.644849
C 6.574899 0.099807 -0.482850
C 5.381014 -0.332685 0.378978
C 7.795036 0.443644 0.382209
C 4.160878 -0.676558 -0.486195
C 8.989222 0.876546 -0.479084
C 2.969677 -1.109128 0.377428
C 10.209164 1.220105 0.385969
C 1.751051 -1.450267 -0.495113
C 11.404611 1.653522 -0.474292
C -0.614912 -2.183095 -0.398946
C 12.621879 1.996533 0.381684
C -1.592198 -2.927337 0.508939
C -5.222139 -1.576808 0.787047
C -6.121755 -0.427359 0.475939
C -7.320440 -0.640301 -0.226830
C -5.772910 0.873008 0.879296
C -8.164019 0.430668 -0.519934
C -6.612358 1.948544 0.589911
C -7.810987 1.727607 -0.109394
C -8.676522 2.830015 -0.406058
H 6.295566 0.973295 -1.102989
H 6.835391 -0.705435 -1.196708
H 5.122150 0.471904 1.093956
H 5.661348 -1.206910 0.998239
H 8.075600 -0.430029 1.001710
H 7.535606 1.248418 1.096787
H 4.422546 -1.483128 -1.198799
H 3.882507 0.196918 -1.106961
H 9.249323 0.071683 -1.193382
H 8.709347 1.750233 -1.098690
H 2.715195 -0.310467 1.099784
H 3.242886 -1.992417 0.990698
H 10.490770 0.347315 1.005847
H 9.951061 2.024660 1.101022
H 2.013230 -2.263779 -1.208622
H 1.458518 -0.569742 -1.106928
H 11.125098 2.528231 -1.093579
H 11.665484 0.848425 -1.188835
H 0.464594 -1.278836 1.130629
H -1.067894 -1.242188 -0.783129
H -0.370852 -2.805042 -1.291396
H 12.408979 2.817513 1.075706
H 13.469451 2.304599 -0.240620
H 12.949102 1.138772 0.980197
H -1.131228 -3.870267 0.884362
H -1.850720 -2.339981 1.408129
H -5.783235 -2.515662 0.968691
H -4.607033 -1.404812 1.690909
H -7.591153 -1.645885 -0.551885
H -4.840283 1.046502 1.416296
H -9.093554 0.264348 -1.066614
H -6.340569 2.957579 0.903257


%chk=000202699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202699

0 1
S -3.161342 -3.801523 -0.243676
S -4.212260 -1.875395 -0.832266
N 0.580598 -2.020495 0.322344
N -9.126065 4.148658 -0.435270
C 6.594546 0.069662 -0.496295
C 5.365982 -0.349555 0.342247
C 7.801965 0.503760 0.365071
C 4.160520 -0.792363 -0.517417
C 9.030379 0.929049 -0.470973
C 2.933457 -1.200834 0.328139
C 10.238636 1.358270 0.391748
C 1.739404 -1.662817 -0.529283
C 11.466579 1.787881 -0.443670
C -0.607353 -2.517093 -0.404471
C 12.668503 2.213072 0.427554
C -1.604485 -3.117535 0.597147
C -5.397118 -1.657397 0.676841
C -6.205860 -0.407095 0.446385
C -7.438198 -0.462713 -0.258537
C -5.737554 0.853505 0.904450
C -8.192531 0.702723 -0.488945
C -6.481876 2.026624 0.681332
C -7.719089 1.959021 -0.018070
C -8.487711 3.154801 -0.246202
H 6.309554 0.901765 -1.173817
H 6.896584 -0.774308 -1.151360
H 5.061288 0.497069 0.992800
H 5.652664 -1.177270 1.023986
H 8.089175 -0.330046 1.039530
H 7.498900 1.344761 1.023612
H 4.464378 -1.644773 -1.160396
H 3.879204 0.031994 -1.205598
H 9.332202 0.089530 -1.131958
H 8.744527 1.765470 -1.142885
H 2.623072 -0.338658 0.957055
H 3.205037 -2.017477 1.024874
H 10.527666 0.521405 1.061746
H 9.937528 2.196380 1.054927
H 2.027178 -2.564603 -1.105794
H 1.494944 -0.868285 -1.279439
H 11.177001 2.624803 -1.111735
H 11.766223 0.950819 -1.106973
H 0.338060 -1.247418 0.959194
H -1.122021 -1.736216 -1.015966
H -0.277969 -3.307979 -1.104269
H 12.401421 3.065035 1.081264
H 13.531707 2.519731 -0.191588
H 12.998003 1.382035 1.079529
H -1.162620 -3.987278 1.116175
H -1.923901 -2.381226 1.354958
H -6.019021 -2.563787 0.719267
H -4.765551 -1.592309 1.575838
H -7.804235 -1.427523 -0.626719
H -4.783798 0.910917 1.440854
H -9.143318 0.651789 -1.028338
H -6.118206 2.993641 1.042242


