%chk=000211950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211950

0 1
S -3.732239 0.259069 -1.429605
S 4.951446 -1.583745 -0.541727
O -3.193259 -0.290636 -2.673849
O -4.490045 1.481800 -1.437593
O 5.575655 -2.441327 -1.528198
O 5.037537 -1.881057 0.868528
N -0.706464 -0.643219 -1.858078
N -4.718898 -1.024053 -0.851051
N 5.698326 -0.056672 -0.843796
C -1.163203 -0.091844 -0.644214
C -0.062134 -0.028206 0.291367
C 1.098858 -0.566654 -0.397968
C 0.667007 -0.933733 -1.725212
C -2.444412 0.349495 -0.305720
C 2.424573 -0.767286 -0.029838
C 3.304224 -1.318735 -0.966928
C -0.276874 0.490428 1.560203
C 1.549327 -1.491581 -2.659602
C -2.619674 0.874526 0.985285
C 2.868555 -1.677375 -2.257674
C -1.563789 0.942080 1.897288
C -5.662454 -0.945116 0.209456
C 5.624369 1.094334 -0.017394
C -6.117224 0.291842 0.702808
C -6.128914 -2.151050 0.778674
C 5.181854 1.019103 1.317276
C 5.994057 2.341625 -0.570640
C -7.012441 0.311980 1.773831
C -7.025546 -2.103923 1.844957
C 5.089158 2.188159 2.073675
C 5.895030 3.493965 0.206758
C -7.465017 -0.876649 2.353617
C 5.435175 3.427207 1.526750
H -1.289802 -0.772800 -2.696957
H 2.763507 -0.501598 0.977066
H 0.537730 0.548730 2.283512
H 1.216387 -1.769683 -3.656348
H -3.607298 1.241900 1.287786
H 3.584909 -2.122790 -2.961700
H -1.739910 1.354181 2.890870
H -4.682126 -1.929749 -1.338815
H 6.307324 0.032974 -1.668367
H -5.826994 1.235269 0.230723
H -5.792807 -3.110036 0.394510
H 4.963748 0.056077 1.787810
H 6.350449 2.406747 -1.594595
H -7.367432 1.270683 2.154012
H -7.385485 -3.033778 2.286074
H 4.751177 2.128332 3.108534
H 6.178235 4.456228 -0.220157
H -8.160976 -0.848796 3.187716
H 5.357699 4.330859 2.124441


%chk=000211950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211950

0 1
S -3.794321 0.836722 -1.608283
S 4.869516 -1.949545 -0.295750
O -3.085142 0.531527 -3.054422
O -4.709607 2.141942 -1.333698
O 5.439133 -3.028259 -1.368864
O 4.795209 -2.225535 1.301874
N -0.695354 -0.284336 -1.876205
N -4.989475 -0.697803 -1.373826
N 6.068664 -0.420479 -0.508043
C -1.175563 0.212227 -0.664374
C -0.147287 0.105622 0.339697
C 1.001068 -0.497213 -0.326921
C 0.624002 -0.717855 -1.702375
C -2.422609 0.773798 -0.324971
C 2.290576 -0.867012 0.111864
C 3.140611 -1.435724 -0.847782
C -0.398098 0.568348 1.650273
C 1.504063 -1.298558 -2.642499
C -2.672161 1.245383 0.975637
C 2.791754 -1.660279 -2.200797
C -1.652045 1.141694 1.958907
C -5.557575 -0.845097 -0.077303
C 5.654810 0.790039 0.113134
C -6.553908 0.084320 0.337090
C -5.186876 -1.917865 0.783704
C 5.665022 0.864754 1.535565
C 5.283286 1.933970 -0.650398
C -7.167555 -0.068783 1.596163
C -5.836030 -2.081897 2.024780
C 5.309359 2.069950 2.173509
C 4.966152 3.145066 -0.000503
C -6.819976 -1.153198 2.439921
C 4.967449 3.215685 1.412771
H -1.251385 -0.213229 -2.738913
H 2.622394 -0.749059 1.148054
H 0.375528 0.494084 2.421759
H 1.200567 -1.473510 -3.678835
H -3.638767 1.700542 1.213838
H 3.508113 -2.144288 -2.872609
H -1.849776 1.512697 2.968875
H -4.399846 -1.497112 -1.674977
H 6.190290 -0.359833 -1.536014
H -6.834544 0.896581 -0.339509
H -4.406509 -2.623745 0.471509
H 5.965347 -0.017023 2.108971
H 5.259757 1.873332 -1.746098
H -7.934052 0.646703 1.912816
H -5.565396 -2.922593 2.672621
H 5.321307 2.123873 3.267718
H 4.704687 4.027641 -0.594548
H -7.315056 -1.275481 3.409208
H 4.711143 4.154310 1.915757


