%chk=000194533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194533

0 1
S -4.402871 -1.306230 0.157291
O 3.292497 1.627681 0.182643
O 3.143743 -1.820948 -0.718253
O 5.592373 -1.842293 0.054355
O 5.627439 -1.228631 2.617018
O -3.575852 3.338863 0.637939
O 0.616733 5.134553 0.374113
N 0.203999 0.626500 -0.767131
N -2.533303 0.751658 0.011309
N 0.455531 2.894186 -0.185797
N -1.480180 4.217241 0.497754
N -5.094769 -3.444611 1.908943
C 2.624767 0.406955 -0.136863
C 1.603018 0.603706 -1.278199
C 3.767538 -0.533265 -0.590106
C -0.566757 -0.555591 -0.714381
C 4.944615 -0.604902 0.408886
C -0.337735 1.837293 -0.301142
C -1.936889 -0.457110 -0.336730
C -0.022815 -1.827925 -1.015889
C -1.784966 1.824146 0.030698
C -0.821454 -2.958192 -1.009250
C -2.736724 -1.640164 -0.319634
C 4.531488 -0.656860 1.889965
C -2.227273 -2.866193 -0.695125
C -2.407505 3.145139 0.413295
C -0.208561 -4.280730 -1.320092
C -3.080112 -4.084358 -0.780298
C -0.061080 4.147937 0.232371
C -4.773848 -2.605088 1.183855
H 2.130870 0.021631 0.785248
H 1.818668 1.566382 -1.812240
H 1.698946 -0.205122 -2.043322
H 4.156517 -0.250496 -1.596717
H 5.671495 0.216635 0.215615
H 1.054454 -1.922482 -1.228193
H 4.260821 0.338642 2.282851
H 3.708018 -1.375484 2.072401
H 2.651450 2.393107 0.209955
H 3.846613 -2.528653 -0.612505
H 5.982462 -2.259856 0.874185
H 0.884141 -4.227607 -1.444047
H -0.398929 -5.014073 -0.519760
H -0.612832 -4.705421 -2.252808
H -4.120344 -3.859410 -1.066298
H -2.721334 -4.802285 -1.532352
H -3.115677 -4.622898 0.181746
H -1.858004 5.137531 0.774822
H 6.325620 -0.555004 2.772276


%chk=000194533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194533

0 1
S -4.655485 -1.278451 -0.001048
O 3.118650 1.715997 0.290434
O 3.375788 -1.802002 -0.766037
O 5.905952 -1.523386 -0.049555
O 5.909805 -0.998233 2.629870
O -3.512376 3.415892 0.545204
O 0.875338 4.988096 0.508905
N 0.185684 0.513439 -0.717661
N -2.554869 0.769921 -0.072437
N 0.581746 2.735862 -0.066331
N -1.298205 4.153333 0.486199
N -5.195971 -3.384862 1.987464
C 2.647673 0.394006 -0.083886
C 1.585726 0.463886 -1.216005
C 3.853429 -0.422878 -0.572055
C -0.620238 -0.637775 -0.698405
C 5.040376 -0.417668 0.414170
C -0.295515 1.738401 -0.248045
C -2.018430 -0.467747 -0.383659
C -0.111501 -1.932656 -0.960723
C -1.735904 1.818130 -0.002059
C -0.971861 -3.044048 -0.996649
C -2.868178 -1.622949 -0.410785
C 4.667613 -0.673054 1.886325
C -2.391982 -2.899717 -0.761979
C -2.295278 3.164498 0.362923
C -0.382362 -4.409745 -1.284563
C -3.303139 -4.101726 -0.888469
C 0.113038 4.007268 0.316846
C -4.938405 -2.546832 1.169574
H 2.196084 -0.141661 0.781661
H 1.762974 1.385964 -1.797407
H 1.678235 -0.405714 -1.880934
H 4.217641 -0.013931 -1.538607
H 5.573728 0.548781 0.330195
H 0.962507 -2.091984 -1.101690
H 4.150919 0.202732 2.318502
H 4.041847 -1.575164 1.986125
H 2.313511 2.336755 0.228683
H 4.207757 -2.356004 -0.755207
H 6.473201 -1.772757 0.731593
H 0.718317 -4.368339 -1.302704
H -0.688554 -5.152677 -0.526129
H -0.720407 -4.795875 -2.265617
H -4.321222 -3.802642 -1.188472
H -2.920654 -4.814449 -1.636739
H -3.398725 -4.645927 0.070510
H -1.617071 5.094259 0.743537
H 6.372794 -0.158463 2.877541


