%chk=000230265.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230265

0 1
S -2.154681 0.326932 0.035535
S -4.288771 -0.830592 1.821971
O 4.034314 -0.534180 -0.839526
O 2.725355 2.570416 1.174056
O 4.305356 1.168873 1.627538
N -4.719406 0.930457 -0.103582
N 3.201036 1.450272 1.193908
C 0.154961 -0.702558 0.707711
C -1.251448 -0.753770 1.193945
C 1.015178 0.310192 1.143068
C 2.347147 0.350288 0.694100
C 0.624114 -1.670735 -0.205601
C 2.801785 -0.615682 -0.222296
C 1.933717 -1.629197 -0.667788
C -3.842137 0.174559 0.574854
C -6.159314 0.890986 0.244550
C -4.307874 1.825347 -1.207674
C 5.155204 -1.068309 -0.080004
H -1.681953 -1.779413 1.189744
H -1.371590 -0.389590 2.237094
H 0.656991 1.085351 1.830150
H -0.050760 -2.456825 -0.554759
H 2.305760 -2.360214 -1.387455
H -6.314330 1.195719 1.299812
H -6.557318 -0.139591 0.146038
H -6.747814 1.557200 -0.402568
H -5.170581 2.372572 -1.622974
H -3.849325 1.252559 -2.037156
H -3.576475 2.581109 -0.858657
H 5.022377 -2.143002 0.061471
H 5.261853 -0.535084 0.874209
H 5.997230 -0.848791 -0.748616


%chk=000230265-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230265

0 1
S -2.322368 1.526774 0.672777
S -3.500313 -1.373266 1.140065
O 3.719147 -0.953997 -0.894529
O 3.670695 2.529004 1.407047
O 4.955056 0.687640 1.018562
N -4.621407 0.584715 -0.384690
N 3.813447 1.287982 1.071044
C 0.184785 0.254707 1.159280
C -1.087717 0.681830 1.848712
C 1.393230 0.945355 1.380554
C 2.591152 0.517765 0.761140
C 0.191040 -0.862273 0.277513
C 2.603701 -0.593087 -0.131532
C 1.376958 -1.265288 -0.361014
C -3.595597 0.181912 0.429112
C -5.718657 -0.369047 -0.671948
C -4.673949 1.944084 -0.973928
C 4.602949 -2.001006 -0.329743
H -1.652909 -0.182795 2.250574
H -0.911276 1.423032 2.643352
H 1.434350 1.822602 2.033892
H -0.746975 -1.400081 0.097381
H 1.379870 -2.098919 -1.070721
H -6.218335 -0.675046 0.264158
H -5.319273 -1.282647 -1.146745
H -6.445530 0.113833 -1.343316
H -5.572212 2.027711 -1.602987
H -3.783482 2.137735 -1.599989
H -4.718386 2.717057 -0.184619
H 4.029593 -2.929656 -0.143140
H 5.075182 -1.635093 0.596988
H 5.365829 -2.176237 -1.102152


