%chk=000206652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206652

0 1
S -0.923792 -2.428371 0.060662
O 3.023556 -0.182900 -1.218984
N -0.291773 0.108511 0.061480
N 1.588310 -1.466192 0.141235
C 0.596670 1.328526 -0.043903
C 1.990229 0.986049 0.562476
C 2.581875 -0.375490 0.142468
C 0.018138 2.490139 0.780217
C 0.735363 1.709860 -1.522520
C 0.331706 -1.171929 0.087552
C -1.707765 0.039928 -0.134173
C 3.780679 -0.787715 0.996265
C -2.197518 -1.229408 -0.129745
C -2.561031 1.255865 -0.332666
C -3.578255 -1.721280 -0.260043
C -3.343609 1.600686 0.933526
H 2.703367 1.782649 0.268124
H 1.931501 1.013988 1.668027
H -0.322827 2.157243 1.768066
H 0.767177 3.275033 0.935519
H -0.837655 2.964766 0.279481
H 1.357635 0.966044 -2.055183
H -0.225715 1.760931 -2.040237
H 1.237611 2.674539 -1.644852
H 4.143836 -1.783748 0.705790
H 4.608904 -0.081798 0.874807
H 3.521948 -0.852267 2.058819
H -1.957574 2.133678 -0.656212
H -3.265091 1.065216 -1.173352
H 3.235440 -1.042236 -1.641370
H -3.960315 -2.106280 0.699578
H -3.655983 -2.538778 -0.994954
H -4.271771 -0.932876 -0.590190
H -3.972617 2.484865 0.783607
H -2.673873 1.804185 1.778456
H -3.997283 0.773666 1.239729


%chk=000206652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206652

0 1
S -0.895208 -2.516243 0.157961
O 3.028204 -0.221816 -1.288993
N -0.278095 0.071032 0.028803
N 1.632572 -1.489297 0.218203
C 0.590111 1.315675 -0.037401
C 1.993230 0.965155 0.557806
C 2.602763 -0.383302 0.134560
C 0.038327 2.450502 0.869271
C 0.717373 1.783136 -1.511728
C 0.362681 -1.184179 0.139239
C -1.701678 0.001400 -0.160737
C 3.833118 -0.751602 0.978112
C -2.205915 -1.276102 -0.114889
C -2.596288 1.208003 -0.399622
C -3.623022 -1.754290 -0.260561
C -3.350199 1.699025 0.865052
H 2.685693 1.778489 0.279048
H 1.911763 0.953956 1.661538
H -0.232099 2.057850 1.865483
H 0.834503 3.204695 1.005637
H -0.831785 2.971735 0.443363
H 1.259572 1.026759 -2.099910
H -0.271655 1.966075 -1.966432
H 1.294133 2.725452 -1.553953
H 4.227770 -1.726267 0.640663
H 4.621190 0.013681 0.867189
H 3.565075 -0.850347 2.044939
H -2.027692 2.038352 -0.846132
H -3.345072 0.923062 -1.162165
H 3.215368 -1.137488 -1.625134
H -4.004549 -2.195289 0.680833
H -3.706956 -2.530972 -1.044170
H -4.297516 -0.925715 -0.535253
H -3.997446 2.562103 0.621975
H -2.650946 2.006160 1.660666
H -3.987826 0.895711 1.274240


