%chk=000213014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213014

0 1
S 2.115578 1.726145 0.574793
O 2.880946 1.618333 1.800882
O 2.039070 3.025154 -0.071391
O 1.194252 -1.402626 1.633677
O -0.393128 1.223797 -1.029871
O 3.398519 1.784892 -4.625373
O -5.225321 1.769461 -1.449911
O -5.493152 -2.428602 0.641975
N 0.533661 1.215521 1.062290
N 3.388817 -1.394205 2.262368
N 2.628416 2.065435 -2.449800
N -1.398222 -0.099366 0.646009
N -3.293803 0.897342 -0.430814
N -3.425694 -1.301213 0.644925
C 2.596817 0.524665 -0.543558
C 2.758245 -0.800582 -0.070312
C 2.840487 0.778086 -1.913439
C 3.199084 -1.823025 -0.888974
C 2.371516 -1.179791 1.348965
C 3.306474 -0.276808 -2.751515
C 3.480563 -1.546585 -2.246447
C -0.446070 0.832289 0.112042
C 4.734284 -0.808870 2.061121
C 3.024755 -1.694311 3.668025
C 2.890231 2.490105 -3.783453
C -2.743421 -0.162765 0.250480
C -4.622027 0.775308 -0.762076
C -4.751828 -1.350960 0.295654
C -5.411185 -0.335644 -0.418915
C -4.405753 2.923068 -1.826301
C -4.825623 -3.502621 1.375724
H 3.313776 -2.838300 -0.509431
H 3.516042 -0.073052 -3.811961
H 3.830422 -2.354425 -2.894624
H 0.371438 0.983021 2.058151
H 2.187338 2.793945 -1.819216
H 5.104932 -1.017198 1.043820
H 5.453284 -1.242824 2.774183
H 4.714200 0.292752 2.211950
H 3.090722 -0.797079 4.307291
H 1.985564 -2.075454 3.722053
H 3.695701 -2.472405 4.066463
H -1.043534 -0.866445 1.252753
H 2.585400 3.539631 -3.945951
H -6.458114 -0.406429 -0.689295
H -5.125665 3.520061 -2.395193
H -3.557295 2.595259 -2.437489
H -4.056523 3.435191 -0.924264
H -4.008313 -3.911771 0.773183
H -4.453174 -3.122204 2.331871
H -5.646090 -4.217004 1.503226


%chk=000213014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213014

0 1
S 2.230310 1.973293 0.730591
O 3.029203 1.671999 2.113597
O 2.475237 3.387374 -0.032779
O 0.954650 -0.982115 1.925675
O -0.453377 1.970886 -0.938006
O 2.921965 1.691291 -4.756558
O -5.239536 1.561249 -1.701995
O -4.865817 -2.662582 0.498952
N 0.455686 1.785581 1.218183
N 3.190324 -1.463400 2.362540
N 2.596681 2.071085 -2.434747
N -1.301348 0.386036 0.644983
N -3.261699 1.020735 -0.537833
N -3.055178 -1.140467 0.561768
C 2.483711 0.533699 -0.499358
C 2.517714 -0.757326 0.080417
C 2.647086 0.772413 -1.898291
C 2.734583 -1.864199 -0.773145
C 2.177959 -1.045097 1.537869
C 2.862559 -0.374909 -2.723926
C 2.904548 -1.659690 -2.160147
C -0.464738 1.424369 0.190885
C 4.620898 -1.287401 2.050851
C 2.875959 -1.795496 3.765425
C 2.714359 2.449185 -3.771265
C -2.592069 0.089252 0.183268
C -4.514330 0.668973 -0.944787
C -4.319781 -1.443610 0.150880
C -5.114545 -0.570453 -0.625804
C -4.576764 2.846950 -2.035078
C -4.024602 -3.570168 1.308832
H 2.750475 -2.872659 -0.347949
H 2.985362 -0.215373 -3.797151
H 3.067188 -2.521336 -2.815841
H 0.422741 1.288919 2.123347
H 2.441220 2.837242 -1.749982
H 4.766633 -1.115144 0.975295
H 5.182256 -2.191529 2.346421
H 5.018861 -0.414132 2.600917
H 3.167936 -0.961426 4.431514
H 1.793530 -1.963783 3.860148
H 3.426578 -2.705108 4.063220
H -0.851675 -0.330329 1.239846
H 2.602031 3.549519 -3.878247
H -6.119066 -0.833609 -0.953252
H -5.286117 3.346201 -2.710556
H -3.605431 2.667063 -2.523501
H -4.410972 3.439891 -1.120254
H -3.100990 -3.831442 0.765474
H -3.756007 -3.097984 2.268692
H -4.657602 -4.455541 1.465164


