%chk=000235503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235503

0 1
S 2.688845 0.723798 -0.024102
O 2.892911 0.880000 -1.681933
O 2.941489 2.030516 0.505790
O 3.502856 -0.412395 0.360887
O -2.613701 -2.769546 0.024498
O -0.630290 -3.613789 0.151450
O -3.411818 1.902468 -0.080706
O -1.766038 3.312120 -0.128371
N 1.475667 -2.082457 0.206051
N -1.404228 -2.662810 0.079043
N -2.227621 2.185511 -0.083876
C 1.033835 0.300161 0.033292
C 0.592711 -1.068027 0.098883
C -0.837266 -1.314516 0.057597
C 0.112837 1.337337 -0.017841
C -1.269385 1.071896 -0.030428
C -1.737741 -0.249417 -0.003340
H 0.444437 2.394661 -0.046079
H -2.828871 -0.445044 -0.028943
H 1.162655 -3.064743 0.245559
H 2.504029 -1.935521 0.279248
H 3.649386 1.406099 -1.988077


%chk=000235503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235503

0 1
S 2.772718 0.805273 0.004926
O 2.915834 0.727115 -1.835526
O 2.962617 2.325860 0.500544
O 3.693029 -0.382968 0.632733
O -2.687003 -2.803940 0.014451
O -0.589045 -3.681973 0.073640
O -3.539774 1.884093 -0.054946
O -1.819931 3.392331 -0.028764
N 1.504193 -2.079979 0.143087
N -1.409558 -2.665741 0.041169
N -2.286067 2.188017 -0.029841
C 0.963969 0.314480 0.047237
C 0.591477 -1.079720 0.072023
C -0.845347 -1.304684 0.035426
C 0.070276 1.377081 0.015301
C -1.311279 1.079725 0.000629
C -1.767638 -0.245485 -0.001873
H 0.410858 2.418630 0.007214
H -2.839670 -0.461177 -0.024215
H 1.143007 -3.042843 0.144671
H 2.502617 -1.854574 0.266115
H 3.839415 1.016783 -2.095397


