%chk=000232164.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232164

0 1
S -2.558576 -0.756789 -1.350060
S -0.232719 -3.394590 -1.515033
P -1.443805 -2.317532 -0.508140
O -2.759000 -3.070547 0.137728
O -0.864480 -1.475680 0.776116
N -0.204767 0.603872 -1.427695
N 1.042399 0.082185 -1.643992
N 1.077717 1.441130 0.214658
C -0.179754 1.436638 -0.272443
C -1.313939 0.231748 -2.290776
C -1.357387 2.123266 0.265261
C 1.820532 0.591644 -0.642211
C 3.243189 0.302220 -0.454299
C -1.668841 3.423267 -0.158851
C -2.155174 1.467862 1.215671
C 3.835951 -0.776288 -1.134218
C 4.015608 1.098781 0.408584
C -2.794436 4.064009 0.365393
C -3.278697 2.118645 1.731794
C -3.599035 3.412363 1.306713
C -2.909493 -4.510818 -0.093430
C 0.349078 -1.974162 1.440104
C 5.192981 -1.049997 -0.950444
C 5.371620 0.815829 0.585483
C 5.961538 -0.256226 -0.092551
C -4.216256 -4.815453 0.614146
C 0.468344 -1.064135 2.645479
H -1.869394 1.134612 -2.640792
H -0.952374 -0.338058 -3.184552
H -1.031242 3.931648 -0.880910
H -1.893245 0.455315 1.543535
H 3.234538 -1.395537 -1.804392
H 3.550645 1.933728 0.937749
H -3.042362 5.074068 0.043162
H -3.905293 1.614516 2.466430
H -4.476058 3.915534 1.711876
H -2.054115 -5.048124 0.356537
H -2.966215 -4.709176 -1.180621
H 1.202716 -1.858053 0.741978
H 0.213834 -3.031862 1.726398
H 5.652062 -1.884409 -1.478277
H 5.970173 1.433448 1.252945
H 7.019181 -0.472567 0.047198
H -5.044437 -4.232026 0.187272
H -4.164500 -4.546167 1.678510
H -4.472714 -5.878269 0.540857
H -0.430184 -1.105670 3.273946
H 0.596590 -0.011869 2.340041
H 1.333497 -1.332828 3.262923


%chk=000232164-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232164

0 1
S -2.304991 -1.276914 0.493373
S -0.892277 -3.605386 -2.012836
P -1.407158 -3.375167 -0.016182
O -2.630918 -4.386183 0.661268
O -0.237457 -3.717511 1.195410
N -0.429995 0.549141 -0.547739
N 0.849258 -0.017047 -0.564857
N 0.948406 2.222589 0.013949
C -0.355979 1.897030 -0.177366
C -1.558672 -0.270459 -0.938575
C -1.481439 2.835354 -0.039679
C 1.650261 1.039798 -0.223617
C 3.111849 0.927663 -0.113217
C -1.245769 4.206517 -0.335864
C -2.768615 2.436922 0.415119
C 3.778428 -0.274765 -0.473797
C 3.867918 2.032107 0.360295
C -2.282783 5.151656 -0.208340
C -3.803706 3.388213 0.540934
C -3.568320 4.745506 0.223435
C -3.870330 -4.605388 -0.146025
C 1.161396 -3.211670 0.972335
C 5.180238 -0.368566 -0.357108
C 5.270430 1.932509 0.474742
C 5.931637 0.733244 0.118656
C -4.729829 -5.561232 0.674631
C 1.901541 -3.469592 2.279156
H -2.368861 0.364103 -1.321858
H -1.236759 -0.997999 -1.706075
H -0.244305 4.507402 -0.658754
H -2.955748 1.401368 0.721000
H 3.192076 -1.116313 -0.858168
H 3.339923 2.951431 0.632416
H -2.090323 6.203868 -0.443949
H -4.788261 3.070766 0.900758
H -4.374216 5.480930 0.321986
H -3.588117 -5.034419 -1.126141
H -4.370606 -3.630290 -0.304815
H 1.125391 -2.137590 0.711572
H 1.596493 -3.775181 0.125703
H 5.689311 -1.296104 -0.642034
H 5.848217 2.788087 0.841607
H 7.021234 0.658337 0.207213
H -4.977876 -5.121545 1.655109
H -4.201495 -6.514814 0.840836
H -5.671632 -5.770306 0.134336
H 1.898832 -4.544113 2.529077
H 1.436904 -2.912454 3.109637
H 2.950392 -3.134036 2.177241


