%chk=000188562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188562

0 1
S 4.040755 1.594449 0.465871
O -0.939486 -1.046664 -1.990558
O -1.941676 -1.876827 0.945763
N -1.160463 0.774845 -0.623289
N 0.334363 -2.098998 0.663424
C -3.503432 1.555229 0.968719
C -3.652969 0.862629 -0.391987
C -2.195394 1.120063 1.642023
C -2.442749 1.155937 -1.291152
C -0.985969 1.377297 0.727455
C 1.821952 -0.440550 -0.322031
C -0.605785 -0.465374 -0.969866
C 0.584253 -0.960732 -0.165787
C 3.038987 -0.950004 0.406840
C 2.099794 0.705344 -1.259045
C 3.562740 0.098136 1.380754
C 2.542658 1.949112 -0.501319
C -0.926134 -2.518968 1.122676
H -3.524640 2.653886 0.843898
H -4.362647 1.300932 1.617437
H -3.738901 -0.236098 -0.240594
H -4.582797 1.181938 -0.894182
H -2.058596 1.645755 2.602792
H -2.253784 0.033940 1.879266
H -2.530065 0.599045 -2.254312
H -2.382191 2.237974 -1.535805
H -0.846315 2.472557 0.578233
H -0.058319 0.992542 1.201861
H 2.837947 -1.895059 0.952895
H 3.825857 -1.214472 -0.336786
H 2.880098 0.395207 -1.990856
H 1.215568 0.952691 -1.888366
H 2.809500 0.347559 2.150478
H 4.468629 -0.254229 1.910805
H 2.800259 2.773544 -1.195196
H 1.741382 2.323306 0.162198
H 1.157436 -2.669132 0.872301
H -0.885467 -3.472206 1.676545


%chk=000188562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188562

0 1
S 4.325662 1.610688 0.348521
O -1.052220 -1.314600 -1.887279
O -1.543816 -1.948441 1.627704
N -1.306767 0.580944 -0.543856
N 0.456949 -2.324760 0.467008
C -3.600243 1.779253 0.826411
C -3.770745 0.979541 -0.487104
C -2.368358 1.268111 1.608702
C -2.477964 1.036919 -1.332132
C -1.092819 1.303134 0.731905
C 1.793148 -0.400024 -0.245935
C -0.672092 -0.592836 -0.906010
C 0.578239 -1.027448 -0.143717
C 3.054523 -0.955433 0.407011
C 1.978992 0.852654 -1.092541
C 3.775366 0.079067 1.306480
C 2.610221 2.036100 -0.324130
C -0.622358 -2.716904 1.240048
H -3.472638 2.856583 0.587290
H -4.509906 1.694254 1.449892
H -3.998812 -0.077843 -0.254848
H -4.611137 1.380523 -1.085606
H -2.196125 1.886424 2.511098
H -2.529266 0.225387 1.935144
H -2.549331 0.390896 -2.221767
H -2.290985 2.081195 -1.659721
H -0.823641 2.356447 0.500417
H -0.251366 0.837539 1.267313
H 2.815348 -1.834937 1.034392
H 3.766360 -1.283619 -0.378047
H 2.644208 0.606514 -1.945604
H 1.013361 1.177370 -1.519485
H 3.122110 0.405049 2.134904
H 4.699967 -0.347418 1.729861
H 2.767716 2.899486 -0.991656
H 1.976892 2.351845 0.523359
H 1.133855 -3.046992 0.208256
H -0.587930 -3.800066 1.494827


