%chk=000277498.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277498

0 1
S 2.217933 1.746900 -0.611067
O 2.678608 3.098496 -0.382393
O 1.554028 1.400091 -1.841932
O -3.864887 2.838133 1.512373
N 1.125557 1.377588 0.728844
N -0.192293 1.820924 0.493516
N -2.752855 2.467594 1.286520
C 3.479105 0.641358 -0.246155
C -1.203498 0.846865 0.444015
C -0.833614 -0.532711 0.029004
C -2.521548 1.194457 0.680319
C 3.254087 -0.739399 -0.310953
C 4.749334 1.124228 0.098259
C 5.562022 -1.151302 0.317506
C -3.635577 0.287956 0.339457
C 4.287414 -1.632484 -0.029316
C 5.785531 0.237175 0.378849
C -0.338992 -0.777415 -1.259982
C -1.012607 -1.591997 0.932110
C 6.673445 -2.102995 0.601831
C -4.539984 -0.114418 1.335886
C -3.811345 -0.156445 -0.981511
C -0.026809 -2.084718 -1.643132
C -0.690401 -2.894402 0.542612
C -0.200885 -3.142040 -0.744543
C -5.602473 -0.961893 1.012404
C -4.875349 -1.004671 -1.296166
C -5.770872 -1.410912 -0.301267
H 1.454220 1.596460 1.687420
H -0.439573 2.731432 0.925682
H 2.263143 -1.126456 -0.581302
H 4.929287 2.206079 0.145772
H 4.104786 -2.704709 -0.081575
H 6.770722 0.618936 0.642252
H -0.185848 0.055160 -1.959765
H -1.413421 -1.399355 1.927028
H 6.318396 -3.058302 1.014004
H 7.404754 -1.699146 1.316477
H 7.227358 -2.340102 -0.321365
H -4.419948 0.247987 2.355012
H -3.119202 0.163867 -1.758164
H 0.345938 -2.276163 -2.648761
H -0.832217 -3.718598 1.239776
H 0.036654 -4.160038 -1.048965
H -6.303492 -1.269496 1.786030
H -5.008910 -1.347591 -2.320470
H -6.599022 -2.070129 -0.549972


%chk=000277498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277498

0 1
S 2.265073 1.653899 -0.514541
O 2.700113 3.235750 -0.368231
O 1.504140 1.141601 -1.884380
O -3.692562 2.842001 1.779314
N 1.014071 0.828979 1.270402
N -0.294887 1.190715 1.219282
N -2.587256 2.202938 1.562572
C 3.855913 0.655353 -0.301693
C -1.330200 0.376280 0.769715
C -1.067075 -1.011206 0.314240
C -2.635975 0.942767 0.898872
C 3.821315 -0.738117 -0.481582
C 5.024053 1.355685 0.042111
C 6.237636 -0.792752 0.020173
C -3.877491 0.340161 0.361598
C 5.026226 -1.455130 -0.316331
C 6.217177 0.615823 0.196933
C -0.167337 -1.296051 -0.746756
C -1.752034 -2.076956 0.960650
C 7.531426 -1.573386 0.161174
C -5.082818 0.371172 1.119152
C -3.904414 -0.223015 -0.946137
C 0.039551 -2.633311 -1.148893
C -1.522542 -3.410577 0.566597
C -0.628349 -3.693418 -0.492872
C -6.272826 -0.170943 0.589151
C -5.097284 -0.756887 -1.473465
C -6.286535 -0.736436 -0.706573
H 1.487361 1.515486 1.904582
H -0.679832 2.105594 1.565305
H 2.889594 -1.250765 -0.738814
H 4.994530 2.443517 0.164791
H 5.024214 -2.543386 -0.447679
H 7.143375 1.141075 0.457258
H 0.337273 -0.476947 -1.275846
H -2.452401 -1.857585 1.773143
H 7.351306 -2.592319 0.545932
H 8.238841 -1.068824 0.841533
H 8.035273 -1.677484 -0.819339
H -5.086782 0.813467 2.118340
H -2.993485 -0.227386 -1.553770
H 0.714190 -2.844157 -1.986358
H -2.045352 -4.225188 1.078899
H -0.461816 -4.729305 -0.808921
H -7.191616 -0.144117 1.185138
H -5.101172 -1.181763 -2.483126
H -7.213908 -1.151051 -1.117347


