%chk=000295748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295748

0 1
S -2.240419 -3.095455 2.977496
O -2.432210 0.364548 -2.550726
O -1.457020 2.004402 -1.333996
N 0.584002 0.155107 0.370885
N -0.827142 -1.318504 1.546855
N -3.052926 -1.910499 0.763335
C 1.526963 0.124066 1.480571
C 1.086514 0.679058 -0.887922
C -0.671187 -0.437651 0.479784
C -1.762760 -0.215671 -0.408232
C 2.821219 -0.378763 1.269037
C 1.644936 1.967293 -0.913290
C 1.142306 0.636344 2.730657
C 1.046822 -0.120473 -2.042399
C -2.916767 -1.024329 -0.241488
C 3.735164 -0.360208 2.324997
C 2.162387 2.454815 -2.115460
C 2.070469 0.640662 3.773833
C 1.566804 0.388411 -3.234397
C -1.816212 0.852979 -1.412779
C 3.364472 0.147383 3.574513
C 2.125683 1.670217 -3.273290
C -1.994599 -1.988960 1.644270
C -2.669424 1.299461 -3.649768
C -3.871718 2.166700 -3.339181
C -0.703207 -2.999639 3.907698
H 3.108278 -0.779789 0.297942
H 1.655357 2.582216 -0.013373
H 0.131552 1.012744 2.885760
H 0.611160 -1.118669 -2.013507
H -3.757502 -0.934035 -0.948678
H 4.742091 -0.747516 2.171633
H 2.589810 3.456982 -2.149717
H 1.782770 1.035179 4.748045
H 1.537320 -0.221095 -4.137351
H 4.082473 0.157967 4.392237
H 2.529639 2.059478 -4.206169
H -1.749933 1.890083 -3.812560
H -2.841174 0.596797 -4.485308
H -4.157556 2.780517 -4.201147
H -4.742827 1.564243 -3.053096
H -3.660442 2.851037 -2.503080
H 0.160708 -3.321324 3.308553
H -0.795146 -3.656082 4.781787
H -0.489029 -1.977028 4.249521


%chk=000295748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295748

0 1
S -2.097076 -3.432472 2.766091
O -2.642793 0.600834 -2.496794
O -1.251308 1.969660 -1.209204
N 0.638834 0.070395 0.289885
N -0.734061 -1.505541 1.377689
N -2.911796 -2.192426 0.528924
C 1.453666 0.240879 1.475006
C 1.203870 0.432597 -0.991150
C -0.604093 -0.570821 0.382338
C -1.697545 -0.332252 -0.523736
C 2.826721 -0.103556 1.450926
C 1.852404 1.680802 -1.148802
C 0.884458 0.791104 2.650163
C 1.144847 -0.477970 -2.075414
C -2.801154 -1.224351 -0.417516
C 3.622870 0.098446 2.599503
C 2.443703 2.012360 -2.384836
C 1.682925 0.978869 3.797025
C 1.724201 -0.130657 -3.315420
C -1.798543 0.855613 -1.406049
C 3.056241 0.635599 3.778350
C 2.379998 1.112101 -3.475228
C -1.870000 -2.235555 1.426058
C -2.915353 1.758996 -3.402147
C -4.084458 2.597509 -2.877586
C -0.486560 -3.196854 3.709468
H 3.263232 -0.529160 0.541761
H 1.871104 2.386576 -0.313469
H -0.173010 1.073075 2.657918
H 0.661491 -1.451937 -1.945041
H -3.638504 -1.122267 -1.113468
H 4.684240 -0.172185 2.573887
H 2.940130 2.981912 -2.502066
H 1.236834 1.407989 4.701140
H 1.677357 -0.839417 -4.149604
H 3.675764 0.789382 4.668478
H 2.836238 1.375339 -4.435661
H -1.993234 2.360452 -3.485288
H -3.147052 1.280677 -4.367223
H -4.321531 3.399681 -3.601079
H -4.987521 1.977168 -2.743199
H -3.826919 3.069031 -1.914414
H 0.364256 -3.432531 3.055364
H -0.539251 -3.895908 4.558811
H -0.403923 -2.158188 4.058106


