%chk=000194597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194597

1 1
S 2.824382 -1.828413 0.596992
O 3.993082 1.879244 -2.255942
N 1.185144 0.011203 1.183148
N -2.980706 -0.713416 -0.238284
N -1.507201 -1.900724 1.057467
N -2.851718 1.618880 -0.662623
C -0.015608 0.713428 1.732366
C 2.200145 0.655300 0.411411
C -1.177047 0.615471 0.793051
C 3.182144 -0.233275 0.028880
C -1.802884 -0.663016 0.598108
C 4.412601 0.015119 -0.752054
C 1.387432 -1.315667 1.349469
C 2.119832 2.095909 0.115585
C -1.725421 1.702134 0.147705
C -3.480564 0.464392 -0.854944
C 4.118780 0.455517 -2.201022
C -3.399773 -2.063102 -0.250397
C -2.490765 -2.757804 0.541219
C -4.694649 0.367226 -1.696973
H -0.287743 0.243646 2.717200
H 0.248793 1.775558 1.958190
H 5.016413 0.812789 -0.250167
H 5.082751 -0.872990 -0.763172
H 0.683823 -1.987338 1.879654
H 2.849941 2.380523 -0.685951
H 1.140271 2.407904 -0.279476
H 2.362040 2.727419 0.985110
H -1.323128 2.721838 0.235899
H 4.908969 0.114164 -2.893279
H 3.134793 0.097155 -2.562565
H -4.264576 -2.405521 -0.790274
H -2.478391 -3.813468 0.777654
H -5.574092 0.019468 -1.126400
H -4.561911 -0.314902 -2.554204
H -4.972762 1.354495 -2.122820
H 4.869401 2.308254 -2.368964


%chk=000194597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194597

1 1
S 2.809522 -1.872343 0.246073
O 3.734281 1.569867 -2.340840
N 1.214875 0.012571 0.984723
N -3.125046 -0.705289 -0.198181
N -1.603504 -1.906887 1.029969
N -2.995144 1.617897 -0.673950
C -0.008018 0.681723 1.567372
C 2.335233 0.722051 0.458991
C -1.235943 0.580976 0.688727
C 3.323936 -0.141327 0.013471
C -1.905083 -0.672090 0.548878
C 4.656686 0.166602 -0.612726
C 1.300588 -1.333224 0.942702
C 2.362946 2.223259 0.428884
C -1.823158 1.685012 0.064882
C -3.638640 0.456007 -0.803999
C 4.582153 0.389588 -2.138906
C -3.586928 -2.029316 -0.154249
C -2.643920 -2.736878 0.597533
C -4.914431 0.347915 -1.583633
H -0.197322 0.193341 2.539078
H 0.250326 1.733710 1.754476
H 5.075354 1.078702 -0.150675
H 5.373465 -0.650167 -0.412132
H 0.454942 -1.972575 1.241677
H 3.223865 2.560378 -0.165017
H 1.466213 2.629443 -0.071948
H 2.430817 2.655529 1.444488
H -1.384106 2.685068 0.146386
H 5.609309 0.559094 -2.519111
H 4.154238 -0.501875 -2.642357
H -4.505804 -2.349749 -0.634329
H -2.661578 -3.794405 0.850227
H -5.750608 0.011220 -0.941844
H -4.820723 -0.377235 -2.413951
H -5.162141 1.334682 -1.997538
H 3.735145 1.836126 -3.293553


