%chk=000281384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281384

0 1
S -5.276456 0.740618 1.163037
S -5.537393 -3.043187 -1.165624
O -5.729967 0.308534 2.451995
O -6.026605 1.635293 0.332336
O 7.519269 -2.465538 -1.207696
O 4.675375 2.283348 2.037101
O 1.943465 4.521161 -0.409674
N -4.921513 -0.706387 0.207758
N 3.642457 1.294740 0.219467
N 1.255239 2.399900 1.218992
N 0.237934 2.886608 1.739909
N -7.220465 -1.472439 0.053038
N -7.962658 -2.472943 -0.467282
C -3.645582 1.306710 1.290465
C 2.519299 3.132567 1.472445
C -3.138281 2.193015 0.332574
C -2.854896 0.912710 2.376406
C -1.044893 2.260982 1.527959
C -1.832364 2.670256 0.436918
C -1.546321 1.378587 2.501242
C 4.643139 0.322212 -0.134902
C 3.719370 2.173426 1.290183
C 2.691335 4.344200 0.515404
C 5.850476 0.183850 0.583434
C 4.380254 -0.494662 -1.247924
C 6.508884 -1.577986 -0.934541
C 6.782252 -0.762837 0.186606
C 5.314211 -1.450805 -1.654529
C -5.906666 -1.575548 -0.196667
C 3.836327 5.229425 0.868204
C 7.360466 -3.366088 -2.352373
C -7.304621 -3.395546 -1.136497
C 8.645897 -4.168765 -2.334771
C -7.826924 -4.588380 -1.808066
H 2.585288 3.523124 2.532385
H -3.770072 2.521946 -0.503373
H -3.265040 0.239039 3.140627
H -1.429586 3.360642 -0.307068
H -0.927599 1.074298 3.345522
H -3.963435 -0.940333 -0.075224
H 2.775382 1.259052 -0.329825
H 6.054087 0.820834 1.453428
H 3.450695 -0.392585 -1.806971
H 7.722468 -0.891907 0.721862
H 5.099431 -2.074229 -2.516322
H 3.537924 5.992855 1.604993
H 4.206328 5.778022 -0.013702
H 4.695007 4.689646 1.305371
H 7.249347 -2.754649 -3.264006
H 6.464599 -3.987757 -2.184585
H 8.671835 -4.901883 -3.148737
H 8.766127 -4.708692 -1.384572
H 9.525212 -3.516318 -2.434385
H -7.406258 -5.517910 -1.390438
H -7.619098 -4.579997 -2.890719
H -8.926787 -4.658530 -1.695890


%chk=000281384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281384

0 1
S -5.005908 0.852814 -0.016081
S -5.205634 -3.738449 -0.058992
O -6.084847 1.139238 1.158848
O -5.216907 1.370415 -1.528040
O 7.064728 -2.503108 -1.543635
O 4.898812 2.467099 2.300201
O 2.416099 5.034281 0.090945
N -4.534010 -1.000071 -0.073131
N 3.631264 1.466519 0.573163
N 1.413607 2.724422 1.263248
N 0.377861 2.850000 2.032663
N -6.690157 -1.652720 -0.892831
N -7.470427 -2.789331 -1.136102
C -3.306302 1.429693 0.592595
C 2.636777 3.308861 1.844653
C -2.313492 1.682782 -0.372272
C -3.144772 1.645433 1.971216
C -0.850983 2.345758 1.473079
C -1.063344 2.146488 0.079941
C -1.891916 2.122397 2.410240
C 4.512226 0.473304 0.056030
C 3.846765 2.353956 1.601993
C 2.965443 4.688543 1.161137
C 5.816791 0.247974 0.577948
C 4.051504 -0.316129 -1.026270
C 6.165085 -1.540270 -1.067428
C 6.627826 -0.750980 0.015666
C 4.865596 -1.318996 -1.591013
C -5.504965 -1.941255 -0.354903
C 3.976071 5.527109 1.914348
C 6.636435 -3.345859 -2.678857
C -6.911366 -3.937724 -0.792327
C 7.797221 -4.284400 -2.995505
C -7.532123 -5.289818 -0.954922
H 2.548629 3.477521 2.935470
H -2.528620 1.544714 -1.436803
H -3.976416 1.478261 2.663258
H -0.257475 2.380185 -0.621956
H -1.699940 2.327070 3.467700
H -3.772886 -1.225786 0.577399
H 2.687952 1.536834 0.161860
H 6.176998 0.854634 1.410853
H 3.048446 -0.146890 -1.437795
H 7.633813 -0.936894 0.403738
H 4.480395 -1.909184 -2.426944
H 3.488453 5.975697 2.802151
H 4.351929 6.336039 1.269210
H 4.805340 4.898103 2.285274
H 6.393578 -2.698537 -3.546883
H 5.726026 -3.912615 -2.393408
H 7.531544 -4.943866 -3.841589
H 8.038209 -4.914405 -2.122514
H 8.698731 -3.710212 -3.268615
H -7.643957 -5.805101 0.015998
H -6.927266 -5.937643 -1.614715
H -8.530537 -5.164205 -1.403995


