%chk=000271389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271389

0 1
S 1.093202 -1.072665 0.548579
O 0.698884 -1.787057 -0.652639
O 1.265386 -1.777009 1.799855
O -2.532517 -2.138846 1.570412
N -0.089110 0.163585 0.863909
C -0.501406 1.008057 -0.282108
C -1.404221 0.303829 -1.309357
C -1.167195 -0.194944 1.801783
C -2.846079 0.326121 -0.896861
C -3.273609 -0.288608 0.291806
C -2.336144 -1.002170 1.212575
C 2.500720 -0.140501 0.189655
C -3.794050 0.959543 -1.718530
C -4.634289 -0.283294 0.636769
C 3.146225 0.579403 1.200603
C 3.016985 -0.130562 -1.111724
C -5.142829 0.977945 -1.360123
C -5.566952 0.356602 -0.180202
C 4.293296 1.319579 0.912262
C 4.162782 0.605976 -1.406984
C 4.809912 1.338424 -0.394935
C 6.046317 2.113404 -0.702962
H 0.421210 1.381511 -0.783245
H -1.017919 1.913019 0.116969
H -1.072631 -0.756848 -1.463871
H -1.265817 0.773539 -2.303570
H -1.576584 0.737359 2.258189
H -0.722290 -0.784846 2.649317
H -3.476540 1.435779 -2.644243
H -4.960492 -0.792386 1.546042
H 2.756672 0.561451 2.224010
H 2.521100 -0.710202 -1.900822
H -5.868840 1.473866 -2.004026
H -6.619870 0.363259 0.094204
H 4.791680 1.876454 1.703624
H 4.561236 0.606993 -2.419841
H 6.074755 2.469579 -1.742207
H 6.163683 2.995863 -0.058453
H 6.941939 1.488198 -0.554761


%chk=000271389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271389

0 1
S 1.077134 -1.084994 0.392902
O 0.721600 -1.842509 -1.016619
O 1.227437 -1.924402 1.778328
O -2.876961 -1.694765 2.202841
N -0.125645 0.329534 0.825942
C -0.539592 1.100628 -0.367344
C -1.550202 0.427694 -1.332616
C -1.135768 -0.089250 1.812930
C -2.994593 0.366611 -0.859840
C -3.402724 -0.229302 0.374150
C -2.479669 -0.769705 1.435995
C 2.641962 -0.081858 0.091005
C -4.003903 0.841730 -1.737307
C -4.790965 -0.354365 0.668954
C 3.290243 0.496862 1.194726
C 3.129926 -0.004447 -1.221657
C -5.375891 0.741127 -1.422971
C -5.774488 0.132047 -0.210794
C 4.485899 1.205631 0.953829
C 4.330191 0.711554 -1.435630
C 5.021779 1.323947 -0.358452
C 6.325251 2.065463 -0.590901
H 0.381238 1.354834 -0.926034
H -0.950732 2.054914 0.019640
H -1.175095 -0.589286 -1.561519
H -1.518254 0.990898 -2.284425
H -1.414291 0.835769 2.365068
H -0.640055 -0.764591 2.534555
H -3.702722 1.288127 -2.692573
H -5.069941 -0.844358 1.607464
H 2.879998 0.390017 2.203472
H 2.597297 -0.505218 -2.037057
H -6.126602 1.126527 -2.121952
H -6.835815 0.038001 0.041829
H 5.012790 1.670023 1.795440
H 4.734595 0.788869 -2.451164
H 6.463331 2.323679 -1.654424
H 6.370445 2.998855 -0.002033
H 7.189392 1.445113 -0.284657


