%chk=000287313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287313

0 1
S 1.618404 1.109232 -0.683610
O 4.251604 0.498824 -0.456417
N 1.306763 -1.165828 0.536546
N 2.653533 -0.993271 0.390649
N -3.645137 0.189616 -0.036055
C -0.845481 -0.047835 0.023636
C 0.608711 -0.171054 0.040590
C -1.643681 -1.153439 -0.309000
C -1.458351 1.176434 0.331740
C 3.118761 0.188458 -0.249337
C -3.038337 -0.989861 -0.326492
C -2.860227 1.249248 0.288486
H -1.192496 -2.117184 -0.542569
H -0.872472 2.051296 0.608925
H 3.259285 -1.726919 0.769592
H -3.703850 -1.824866 -0.580146
H -3.385828 2.184148 0.521164


%chk=000287313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287313

0 1
S 1.710253 1.369454 0.159850
O 4.403476 0.492575 0.121941
N 1.260656 -1.264920 -0.056921
N 2.634509 -1.085456 -0.026181
N -3.695309 0.153523 -0.000003
C -0.839315 -0.000996 0.020622
C 0.625540 -0.100266 0.029501
C -1.636873 -1.175033 -0.078123
C -1.506081 1.248159 0.108638
C 3.199535 0.192131 0.083537
C -3.039543 -1.046143 -0.083999
C -2.918043 1.272815 0.094484
H -1.161137 -2.156960 -0.147805
H -0.946485 2.186723 0.186881
H 3.217806 -1.920413 -0.086814
H -3.679798 -1.931885 -0.158753
H -3.457988 2.223692 0.160848


