%chk=000238867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238867

0 1
S -3.378046 -0.295224 -1.398780
O 1.045597 -0.121912 -2.506544
O 4.409582 0.387986 0.557365
N 2.709535 0.129448 -1.000648
N 2.249088 0.325917 1.345207
N -1.904846 0.000534 0.708615
C 0.400910 0.061918 -0.176903
C -1.034152 -0.052681 -0.421774
C 1.307555 0.008280 -1.330981
C 0.884114 0.214954 1.094633
C -1.663028 -0.208312 -1.627310
C -3.167013 -0.112618 0.365764
C 3.229368 0.287598 0.297486
C -4.341428 -0.103403 1.247575
H 0.213930 0.256915 1.972249
H -1.202766 -0.272877 -2.606636
H 3.387806 0.097885 -1.777738
H 2.597114 0.439444 2.302054
H -5.038651 0.713919 0.998186
H -4.907247 -1.048478 1.189527
H -4.054423 0.032707 2.306553


%chk=000238867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238867

0 1
S -3.467622 -0.316001 -1.469868
O 1.078171 -0.116857 -2.567434
O 4.468404 0.396197 0.613476
N 2.718911 0.140766 -0.942464
N 2.236459 0.321187 1.338902
N -1.915315 -0.001295 0.671537
C 0.393466 0.057725 -0.219641
C -1.051317 -0.057779 -0.450418
C 1.352867 0.015722 -1.339026
C 0.883264 0.208667 1.066937
C -1.691145 -0.221196 -1.674806
C -3.188533 -0.115856 0.346076
C 3.241397 0.293701 0.348872
C -4.343977 -0.094938 1.302199
H 0.191564 0.242366 1.911621
H -1.223956 -0.288955 -2.653741
H 3.405881 0.114314 -1.703339
H 2.573398 0.431420 2.297188
H -5.046060 0.726280 1.070389
H -4.914822 -1.040614 1.267302
H -3.958038 0.047146 2.324139


