%chk=000205997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205997

0 1
S 1.765531 3.120251 0.968256
O -0.199429 2.762550 -2.339997
O 4.824313 -1.115498 -1.175441
O 5.255845 -2.252133 0.863394
N -2.802359 -0.653758 -0.734120
N 0.267363 1.511793 -0.478262
C -4.091456 -0.791981 0.009268
C -5.142941 0.277346 -0.372401
C -4.637284 -2.209565 -0.274034
C -6.456638 0.037368 0.381954
C -5.949955 -2.443376 0.483251
C -6.996577 -1.377474 0.129739
C -2.035212 0.574477 -0.375245
C -0.589812 0.369383 -0.881010
C 0.999513 1.445224 0.795849
C 0.376985 2.661150 -1.275222
C 2.118792 0.440809 0.828536
C 1.266582 3.715661 -0.664098
C 2.903072 0.210502 -0.333339
C 2.374528 -0.233250 2.025241
C 3.919094 -0.706404 -0.204988
C 4.179470 -1.391126 1.021212
C 3.423675 -1.173158 2.150349
C 5.695362 -2.100517 -0.527765
H -3.865965 -0.704604 1.103425
H -4.760139 1.288801 -0.147628
H -5.328781 0.256095 -1.462351
H -4.796510 -2.351477 -1.359171
H -3.881675 -2.962628 0.021862
H -6.300045 0.190568 1.467099
H -7.208301 0.787853 0.072940
H -6.342610 -3.450283 0.247487
H -5.761591 -2.437674 1.574076
H -7.291077 -1.481175 -0.932260
H -7.916842 -1.541035 0.720320
H -2.967979 -0.674768 -1.746466
H -2.458494 1.507123 -0.808149
H -2.039677 0.705017 0.727877
H -0.166395 -0.579832 -0.482468
H -0.576641 0.292239 -1.994458
H 0.281496 1.291726 1.644149
H 2.151207 3.906146 -1.305804
H 0.728026 4.681950 -0.578131
H 2.709392 0.731285 -1.268232
H 1.758560 -0.040639 2.904458
H 3.615502 -1.689560 3.086581
H 5.549534 -3.064006 -1.033582
H 6.714943 -1.693295 -0.516198


%chk=000205997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205997

0 1
S 1.931270 3.423089 0.717966
O -0.207168 2.928076 -2.624391
O 4.684951 -1.408522 -1.002991
O 4.795709 -2.558372 1.101840
N -2.748809 -0.478049 -0.839095
N 0.328260 1.726799 -0.683012
C -3.945727 -0.839277 -0.039092
C -5.052796 0.255308 0.001892
C -4.526590 -2.170766 -0.569503
C -6.283011 -0.200320 0.825381
C -5.760764 -2.628477 0.244033
C -6.853398 -1.533527 0.286457
C -1.931328 0.652066 -0.362277
C -0.544327 0.591018 -1.048607
C 1.030419 1.705343 0.606576
C 0.401606 2.833929 -1.518961
C 2.005691 0.556386 0.764533
C 1.310472 3.942132 -0.980839
C 2.866475 0.192803 -0.314298
C 2.071192 -0.131395 1.999897
C 3.758844 -0.850257 -0.087090
C 3.825356 -1.529628 1.152003
C 2.991754 -1.193790 2.218976
C 5.458955 -2.410044 -0.223267
H -3.594727 -1.009722 1.001893
H -4.641392 1.196423 0.417083
H -5.368603 0.472895 -1.041201
H -4.821301 -2.033412 -1.632803
H -3.732623 -2.940111 -0.551355
H -5.984180 -0.334917 1.886215
H -7.061879 0.586679 0.812198
H -6.169946 -3.563200 -0.185972
H -5.445312 -2.866985 1.281211
H -7.249474 -1.372603 -0.737823
H -7.705146 -1.866758 0.910826
H -2.981079 -0.387011 -1.838938
H -2.374513 1.658797 -0.548043
H -1.814542 0.543523 0.734446
H -0.047203 -0.360042 -0.792622
H -0.675244 0.638135 -2.145308
H 0.307957 1.698552 1.443324
H 2.155424 4.092896 -1.671619
H 0.733425 4.876920 -0.903805
H 2.823464 0.715041 -1.273882
H 1.398599 0.162906 2.813870
H 3.041721 -1.726131 3.171691
H 5.427275 -3.377322 -0.749015
H 6.486661 -2.032976 -0.070000


