%chk=000201001.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201001

0 1
S 3.539136 -0.265285 0.659404
P -2.171823 -0.482507 0.451635
O -1.425180 0.962111 0.047788
O -2.707688 -0.945143 -1.031339
O -3.506098 0.115602 1.144598
O -1.377163 -1.440602 1.226438
O 4.766376 -0.002484 -0.065478
O 3.411915 0.093679 2.051993
N 3.291422 -1.962324 0.559985
C 2.199288 0.377719 -0.242843
C -0.135832 0.867972 -0.454115
C 0.922519 0.363447 0.317958
C 2.423087 0.899541 -1.519121
C 0.061357 1.397642 -1.739839
C 1.354114 1.414609 -2.263845
C -2.252335 -2.230003 -1.540738
C -4.271925 1.094058 0.355685
C -0.778652 -2.206933 -1.895875
C -5.526046 1.288045 1.182785
H 0.743721 -0.025679 1.329261
H 3.436515 0.913568 -1.938284
H -0.789020 1.790775 -2.296981
H 1.533335 1.830221 -3.255801
H -2.502163 -3.026618 -0.813641
H -2.897469 -2.329732 -2.438659
H -3.667044 2.019139 0.279792
H -4.486117 0.675700 -0.646649
H -0.520296 -3.045317 -2.555964
H -0.498062 -1.284212 -2.422306
H -0.125565 -2.296286 -1.012585
H -6.169309 2.069823 0.764004
H -6.110193 0.359936 1.250510
H -5.274416 1.569985 2.216651
H 4.019291 -2.530645 0.133332
H 2.919020 -2.448004 1.373948


%chk=000201001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201001

0 1
S 3.608008 -0.529069 0.542109
P -2.221820 -0.395194 0.571884
O -1.417282 1.079502 0.044675
O -2.592116 -1.139038 -0.940878
O -3.678364 0.292092 1.109466
O -1.467375 -1.301254 1.628668
O 5.017542 -0.015225 -0.094217
O 3.323650 -0.592029 2.141544
N 3.297859 -2.242919 -0.079131
C 2.226852 0.452874 -0.291623
C -0.078313 1.083482 -0.408963
C 0.935853 0.342998 0.243846
C 2.576858 1.256749 -1.385419
C 0.213867 1.907695 -1.520317
C 1.538912 2.001493 -1.994951
C -2.182595 -2.568281 -1.168767
C -4.501397 1.162257 0.198092
C -0.781269 -2.651504 -1.772756
C -5.783565 1.458746 0.966141
H 0.721535 -0.270522 1.126194
H 3.615021 1.308274 -1.726954
H -0.600623 2.465619 -1.991047
H 1.765040 2.649160 -2.847828
H -2.249211 -3.122994 -0.214932
H -2.955651 -2.932957 -1.864955
H -3.919219 2.075349 -0.018192
H -4.690280 0.608779 -0.740021
H -0.565839 -3.698888 -2.057552
H -0.708651 -2.026887 -2.679662
H -0.004324 -2.332052 -1.056684
H -6.436643 2.112697 0.358765
H -6.329882 0.527851 1.191832
H -5.558316 1.972972 1.915243
H 4.068022 -2.497271 -0.720843
H 3.242416 -2.860708 0.748939


