%chk=000217070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217070

0 1
S 0.246689 0.326882 -1.334956
S -2.795208 -1.121542 0.148055
S 3.396089 -0.302884 -2.589472
P 2.262724 -0.103559 -1.068620
O 2.700880 1.042757 0.037767
O 2.039398 -1.396985 -0.067502
O -5.402591 -0.649766 0.040213
N -2.575773 1.457865 0.350237
N -3.901344 1.241073 0.258898
C -0.356838 0.320538 0.411011
C 3.871723 1.875966 -0.240690
C 3.220216 -2.174834 0.311935
C -1.816558 0.373169 0.311689
C 3.867528 2.851966 0.920738
C 2.637142 -3.275516 1.177910
C -4.214726 -0.061231 0.147625
C -6.565563 0.249298 0.018246
H 0.008661 -0.578386 0.958276
H 0.049878 1.213769 0.947609
H 3.745921 2.387017 -1.214263
H 4.775093 1.238403 -0.250450
H 3.915062 -1.524715 0.874800
H 3.705077 -2.577378 -0.599081
H 4.717583 3.541691 0.866094
H 2.944791 3.449516 0.934152
H 3.912838 2.326621 1.884350
H 3.408058 -3.988273 1.492608
H 2.159141 -2.867790 2.078230
H 1.860880 -3.833439 0.633951
H -6.610945 0.813818 0.955225
H -7.388200 -0.468033 -0.077566
H -6.494827 0.919881 -0.844518


%chk=000217070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217070

0 1
S 0.548621 1.347893 -1.874607
S -1.795269 -0.798142 0.192237
S 3.604394 -0.585896 -2.648971
P 2.297052 0.062411 -1.193784
O 2.998775 0.955328 0.139019
O 1.430732 -1.087185 -0.227747
O -4.467479 -1.386111 0.445290
N -2.724669 1.712407 -0.001244
N -3.873208 0.917244 0.164997
C -0.256370 1.676466 -0.153214
C 4.032093 1.986103 -0.170809
C 2.230038 -2.146043 0.474883
C -1.584339 1.022450 -0.006034
C 4.559212 2.480868 1.172906
C 1.226407 -3.168753 0.996097
C -3.568898 -0.379179 0.279613
C -5.897300 -0.969136 0.482164
H 0.479059 1.348775 0.598039
H -0.387469 2.768007 -0.096926
H 3.558597 2.801251 -0.751831
H 4.826920 1.521741 -0.785035
H 2.797275 -1.662054 1.290801
H 2.936622 -2.594745 -0.249889
H 5.330557 3.255551 1.007260
H 3.747902 2.921221 1.777064
H 5.013080 1.653160 1.743728
H 1.763073 -3.965696 1.543862
H 0.505565 -2.697321 1.685266
H 0.667755 -3.628782 0.164068
H -6.062459 -0.277098 1.324326
H -6.449453 -1.909351 0.614601
H -6.164017 -0.469488 -0.463627


