%chk=000190752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190752

0 1
S -3.980630 -2.235534 -0.880643
O 0.347429 -1.437720 0.629929
O 6.600178 0.149049 -0.330255
N -2.383311 -1.548914 -0.767348
N -1.237623 0.240705 0.321995
N 1.037061 0.628332 -0.197570
C -3.719479 -0.130577 0.721087
C -4.834359 -0.768947 -0.133142
C -3.934417 1.360609 1.000567
C -5.353005 0.090906 -1.282444
C -4.363831 2.152377 -0.238144
C -5.629030 1.534905 -0.846085
C -2.395765 -0.518362 0.032284
C 0.092287 -0.316898 0.258388
C 2.458060 0.413582 -0.209931
C 3.267597 1.509062 -0.591574
C 3.042290 -0.813306 0.138889
C 4.648267 1.373078 -0.618594
C 4.431807 -0.956205 0.116954
C 5.222022 0.134493 -0.260466
C 7.301574 -1.073469 -0.000706
H -3.690270 -0.656870 1.717792
H -5.667239 -1.121971 0.508401
H -3.025843 1.806376 1.448983
H -4.718681 1.457742 1.781886
H -6.272713 -0.360717 -1.704113
H -4.622331 0.106199 -2.120463
H -3.551387 2.160406 -0.990180
H -4.545836 3.209464 0.032084
H -6.459479 1.564931 -0.115453
H -5.966195 2.131264 -1.715002
H -1.379077 1.230263 0.522772
H 0.717770 1.494987 -0.629449
H 2.818541 2.461945 -0.865866
H 2.416946 -1.667662 0.427629
H 5.296164 2.197991 -0.909215
H 4.872401 -1.910908 0.390090
H 7.022315 -1.871828 -0.694307
H 7.113452 -1.351675 1.040164
H 8.348536 -0.776201 -0.145047


%chk=000190752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190752

0 1
S -4.367098 -2.434668 -0.500351
O 0.271369 -1.786121 0.246259
O 6.603906 0.342891 -0.290583
N -2.611998 -1.844867 -0.572398
N -1.308045 -0.011246 0.212056
N 0.940031 0.436379 -0.190376
C -3.771294 -0.131344 0.794165
C -4.975430 -0.679973 -0.012694
C -3.843186 1.402317 1.006659
C -5.292518 0.145958 -1.276384
C -4.130241 2.184298 -0.295872
C -5.421427 1.657455 -0.964184
C -2.524032 -0.700196 0.078914
C 0.004715 -0.569854 0.088711
C 2.362440 0.323402 -0.198768
C 3.110117 1.498387 -0.490127
C 3.052439 -0.885163 0.066127
C 4.513193 1.470143 -0.514620
C 4.464783 -0.911910 0.047787
C 5.201416 0.261506 -0.242335
C 7.356042 -0.884104 -0.021503
H -3.771093 -0.629113 1.790123
H -5.861585 -0.806459 0.631914
H -2.921204 1.771405 1.504008
H -4.658920 1.604687 1.728536
H -6.221636 -0.235165 -1.738457
H -4.482402 -0.003526 -2.016544
H -3.285410 2.072613 -1.006791
H -4.222941 3.263672 -0.070113
H -6.284318 1.835478 -0.289562
H -5.626403 2.212478 -1.899103
H -1.377730 0.959134 0.524726
H 0.573095 1.338517 -0.501233
H 2.590497 2.443034 -0.698268
H 2.483332 -1.793558 0.271504
H 5.094477 2.369101 -0.739807
H 4.971153 -1.859213 0.255230
H 7.117846 -1.673553 -0.761035
H 7.157791 -1.263109 1.000329
H 8.414466 -0.598812 -0.112045


