%chk=000187627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187627

0 1
S 1.158752 1.451423 -0.258962
O 2.460124 -1.936240 -2.054007
O 0.456065 2.361768 0.633302
O 1.253732 1.790007 -1.665760
O -5.267303 -1.623017 -0.332431
N 0.406016 -0.097769 -0.191103
C 1.134110 -2.075028 -1.443624
C 0.263369 -0.828805 -1.472179
C 1.473487 -2.782047 -2.726314
C -0.560838 -0.498332 0.870124
C -1.994075 -0.092016 0.527504
C -0.148702 0.042530 2.239871
C 2.732342 1.150645 0.386414
C -2.926297 -1.111904 0.261954
C -2.382463 1.246528 0.476459
C 3.635908 0.342324 -0.308973
C 3.102763 1.735874 1.602987
C -4.238890 -0.747808 -0.049447
C -3.705975 1.586465 0.155554
C -4.648850 0.601087 -0.110796
C 4.913255 0.114503 0.216107
C 4.377298 1.509825 2.126869
C 5.282317 0.697811 1.431306
C -4.988169 -3.041075 -0.274974
H 1.161577 -2.618979 -0.493749
H -0.796358 -1.119534 -1.665808
H 0.558559 -0.173529 -2.336123
H 1.137931 -2.395865 -3.686423
H 1.723017 -3.840277 -2.730857
H -0.509789 -1.625305 0.922617
H -0.225940 1.142986 2.300843
H 0.878641 -0.236366 2.498141
H -0.808594 -0.354702 3.021311
H -2.627953 -2.151820 0.308339
H -1.656565 2.042361 0.686513
H 3.353979 -0.120492 -1.265870
H 2.394470 2.376369 2.141607
H -3.993977 2.637925 0.115754
H -5.679113 0.839452 -0.360593
H 5.615442 -0.517339 -0.326413
H 4.668036 1.966581 3.071111
H 6.278163 0.522149 1.839576
H -4.240278 -3.312251 -1.024868
H -4.679325 -3.328236 0.734061
H -5.967005 -3.472575 -0.523053


%chk=000187627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187627

0 1
S 1.281665 1.496800 -0.339899
O 2.307262 -2.096167 -2.081599
O 0.504307 2.661271 0.512914
O 1.593861 1.760496 -1.922232
O -5.357206 -1.765543 -0.069091
N 0.491085 -0.279847 -0.266500
C 0.808857 -2.099809 -1.876159
C 0.164059 -0.744610 -1.637688
C 1.378729 -2.452429 -3.218079
C -0.544414 -0.542495 0.793192
C -1.987670 -0.140515 0.446909
C -0.091038 -0.027822 2.177644
C 2.912594 1.153468 0.545458
C -2.968705 -1.162101 0.345382
C -2.358739 1.210031 0.240945
C 3.736998 0.133561 0.040335
C 3.239844 1.973664 1.635897
C -4.314032 -0.830901 0.049134
C -3.704378 1.526178 -0.062601
C -4.684821 0.520003 -0.159286
C 4.975792 -0.071626 0.691343
C 4.485371 1.749053 2.268556
C 5.347288 0.731271 1.797089
C -5.034287 -3.175758 0.150419
H 0.481900 -2.918874 -1.220760
H -0.931442 -0.804280 -1.804364
H 0.578012 -0.014192 -2.361957
H 1.339176 -1.707850 -4.023195
H 1.419353 -3.501682 -3.534463
H -0.521764 -1.654265 0.849633
H -0.131112 1.071894 2.236779
H 0.939104 -0.363842 2.392214
H -0.762621 -0.435748 2.952555
H -2.672817 -2.205204 0.507982
H -1.606918 2.003678 0.317676
H 3.426013 -0.484936 -0.809083
H 2.547989 2.754199 1.968602
H -3.990653 2.571262 -0.224533
H -5.728918 0.750613 -0.391801
H 5.645676 -0.859625 0.331886
H 4.777996 2.369631 3.121955
H 6.310569 0.563596 2.291251
H -4.294368 -3.541772 -0.588832
H -4.650013 -3.348338 1.175100
H -5.984692 -3.713142 0.017268


