%chk=000248747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248747

0 1
S 3.862283 -0.970737 -0.567131
O 4.206709 -2.318659 -0.149669
O 4.274022 -0.496711 -1.859852
O 3.730442 1.938896 0.134484
O -2.337124 1.887085 -0.625826
O -7.181723 -0.832695 -0.695507
O -7.006333 0.404260 1.168253
N 4.714007 -0.032193 0.645930
N -1.940102 -0.172496 0.361333
C 2.198641 -0.694795 -0.290528
C 1.444712 -1.664250 0.389045
C 1.572285 0.467675 -0.760798
C -0.540488 -0.305721 0.121067
C 0.083788 -1.483344 0.601489
C 0.207065 0.668846 -0.559658
C 4.574468 1.360119 0.794772
C -2.751160 0.921467 -0.028205
C 5.478496 2.023764 1.787545
C -4.178485 0.767221 0.406818
C -5.053118 0.000854 -0.243044
C -6.467219 -0.072967 0.198519
H 1.932930 -2.579234 0.751689
H 2.159999 1.238357 -1.285313
H -0.486189 -2.244190 1.128586
H -0.267996 1.585161 -0.930171
H 5.413269 -0.522092 1.220776
H -2.383720 -0.946908 0.866473
H 6.536226 1.948201 1.495712
H 5.243679 3.099918 1.857016
H 5.378979 1.605860 2.798070
H -4.451528 1.381172 1.277909
H -4.808987 -0.597810 -1.129016
H -8.146529 -0.906852 -0.451164


%chk=000248747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248747

0 1
S 3.890606 -0.954422 -0.609686
O 4.159530 -2.504648 -0.194706
O 4.391421 -0.365468 -2.026247
O 4.036045 2.063246 0.245199
O -2.425936 2.192513 -0.727459
O -6.976067 -1.539707 0.123549
O -7.218464 0.746559 0.516918
N 4.766438 -0.075940 0.792254
N -2.052743 0.033112 0.145454
C 2.068048 -0.576654 -0.351267
C 1.307014 -1.563299 0.298161
C 1.531878 0.617952 -0.855213
C -0.655904 -0.126256 -0.043674
C -0.070085 -1.326661 0.450755
C 0.149892 0.847549 -0.699845
C 4.765850 1.308569 0.945793
C -2.859845 1.121667 -0.206078
C 5.716686 1.824074 2.025104
C -4.320802 0.957293 0.073748
C -5.018177 -0.212321 0.012718
C -6.484735 -0.231105 0.244355
H 1.776542 -2.487075 0.649897
H 2.175784 1.356140 -1.340157
H -0.692950 -2.078806 0.949976
H -0.306258 1.767212 -1.068291
H 5.391871 -0.711478 1.302104
H -2.521560 -0.731013 0.638683
H 6.622298 2.226426 1.536233
H 5.224563 2.651905 2.560034
H 6.021114 1.049707 2.748700
H -4.859187 1.895686 0.255472
H -4.562131 -1.176193 -0.240762
H -7.959438 -1.541364 0.277879


