%chk=000220884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220884

0 1
S 2.051659 -1.758604 0.376954
O 2.921633 -2.151525 1.465164
O 2.001480 -2.551559 -0.833042
O -4.624922 1.028890 -0.664899
N 0.465619 -1.801998 1.097928
N -1.378227 0.279936 1.650901
N -3.348857 1.559565 1.170724
C -0.670281 -1.618995 0.229015
C -1.578411 -0.558269 0.532950
C 2.255581 -0.099388 -0.004018
C -2.698790 -0.335686 -0.295639
C -0.909221 -2.420551 -0.887818
C 2.942893 0.741573 0.879735
C 1.745663 0.417580 -1.202685
C -2.913722 -1.164297 -1.412729
C -2.027378 -2.191856 -1.706784
C 2.586400 2.617941 -0.616775
C 3.106703 2.093115 0.579656
C 1.905044 1.767361 -1.507618
C -3.652075 0.771944 0.003885
C -2.302411 1.316117 1.909783
C 2.753653 4.060298 -0.951751
H 0.293944 -2.525281 1.813584
H -0.205472 -3.224827 -1.144247
H 3.361754 0.335322 1.808617
H 1.224542 -0.240346 -1.907855
H -3.792247 -0.976057 -2.040136
H -0.556919 0.127871 2.238170
H -2.192638 -2.830569 -2.574500
H 3.644923 2.740314 1.270353
H 1.503958 2.165227 -2.439225
H -2.090426 1.932702 2.800664
H 1.785742 4.543635 -1.157711
H 3.235288 4.638475 -0.151386
H 3.370916 4.190544 -1.855065


%chk=000220884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220884

0 1
S 2.088893 -1.835950 0.089345
O 3.246780 -2.400159 1.085065
O 1.839440 -2.460806 -1.398180
O -4.250900 1.239404 -1.144189
N 0.358532 -1.992268 1.200951
N -0.981657 0.417010 1.174279
N -2.659581 1.969807 0.425003
C -0.799654 -1.896103 0.384197
C -1.454767 -0.619706 0.371426
C 2.241885 0.026105 -0.086690
C -2.604736 -0.382916 -0.429726
C -1.334765 -2.932478 -0.420686
C 2.842307 0.744469 0.959607
C 1.752012 0.622904 -1.260786
C -3.116742 -1.447249 -1.215111
C -2.494761 -2.712492 -1.202159
C 2.439427 2.807144 -0.337746
C 2.935145 2.148112 0.819230
C 1.855493 2.025479 -1.372228
C -3.245206 0.972769 -0.428822
C -1.606297 1.652913 1.156689
C 2.543456 4.313281 -0.483217
H 0.526194 -2.951846 1.563888
H -0.828957 -3.904216 -0.443936
H 3.243843 0.225154 1.836009
H 1.320016 0.009671 -2.058037
H -4.002960 -1.246596 -1.826080
H -0.166929 0.212615 1.764484
H -2.895938 -3.526092 -1.814202
H 3.406155 2.735699 1.615177
H 1.477151 2.519563 -2.274326
H -1.166908 2.411857 1.815406
H 1.553467 4.765194 -0.677385
H 2.961310 4.784128 0.422131
H 3.194650 4.584199 -1.335180


