%chk=000286369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286369

0 1
S -1.073701 1.218514 0.235768
O -0.467204 1.675690 -1.002540
O -1.277090 2.139731 1.335353
N -0.101007 -0.036954 0.895005
C 0.801652 -0.810768 0.007400
C 1.067806 -2.218565 0.630393
C 2.576598 -2.305989 0.956596
C 2.181668 -0.192651 -0.131217
C 3.174684 -1.039693 0.410880
C 2.520725 1.021356 -0.710918
C 4.513023 -0.667545 0.388116
C 3.873933 1.398567 -0.734670
C 4.854366 0.566745 -0.190499
C -2.556607 0.414573 -0.147163
C -3.479450 0.132556 0.864197
C -2.832337 0.059306 -1.471490
C -4.678294 -0.517013 0.552605
C -4.029953 -0.589806 -1.784391
C -4.950996 -0.878853 -0.770918
H 0.321424 -0.916719 -0.997631
H 0.773800 -3.005002 -0.083085
H 0.453643 -2.380336 1.532517
H 3.036820 -3.199721 0.498529
H 2.750778 -2.390552 2.044798
H 0.327921 0.146179 1.814307
H 1.749682 1.670217 -1.142858
H 5.282118 -1.310927 0.804415
H 4.154869 2.349603 -1.183242
H 5.898874 0.873621 -0.214770
H -3.272614 0.426185 1.898446
H -2.115848 0.299230 -2.265870
H -5.398574 -0.736826 1.339167
H -4.246949 -0.865856 -2.815161
H -5.885957 -1.385097 -1.014569


%chk=000286369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286369

0 1
S -1.034591 1.044911 -0.061870
O -0.530355 1.367295 -1.585398
O -1.054688 2.173135 1.115236
N -0.034177 -0.398626 0.632737
C 1.008117 -0.927434 -0.318579
C 1.345868 -2.406836 0.064607
C 2.645846 -2.343436 0.925495
C 2.358945 -0.221743 -0.212342
C 3.280577 -1.020654 0.512926
C 2.719755 1.054566 -0.694668
C 4.583649 -0.544730 0.765622
C 4.030426 1.526940 -0.444019
C 4.954170 0.733736 0.281234
C -2.767535 0.312700 -0.211110
C -3.581121 0.317305 0.932838
C -3.173536 -0.169366 -1.464943
C -4.884872 -0.215253 0.807713
C -4.481311 -0.698557 -1.568280
C -5.328862 -0.725170 -0.435895
H 0.570086 -0.849878 -1.329094
H 1.548420 -2.967875 -0.866052
H 0.498753 -2.888784 0.578851
H 3.308749 -3.207275 0.737604
H 2.415237 -2.348068 2.009453
H 0.395096 0.026477 1.482151
H 1.994791 1.659922 -1.250417
H 5.305042 -1.154068 1.322839
H 4.334272 2.512362 -0.814418
H 5.965858 1.113090 0.465969
H -3.217103 0.740109 1.874530
H -2.501030 -0.108483 -2.326648
H -5.550339 -0.227166 1.677067
H -4.835364 -1.081440 -2.531022
H -6.340970 -1.134507 -0.524616


