%chk=000210279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210279

0 1
S -5.254811 -0.243821 0.387365
S -6.604862 0.721273 -0.499289
O -3.853873 0.124664 -0.377350
O -5.357633 -1.851975 -0.011851
O -5.020723 -0.271868 1.796572
N -0.213833 -0.056018 -0.141666
C 2.514968 -1.223084 0.295429
C 2.282754 0.077605 -0.507055
C 3.968202 -1.364607 0.807818
C 2.269220 -2.500042 -0.540983
C 4.256710 -2.875237 0.886681
C 3.157471 -3.592909 0.078366
C 2.522116 1.317845 0.379475
C 0.875739 0.111408 -1.152478
C 2.561739 2.620644 -0.429712
C 2.800333 3.837253 0.475899
C -1.540117 0.378274 -0.669145
C 2.837742 5.137283 -0.324023
C -2.596505 -0.415384 0.115193
H 1.821998 -1.237119 1.169157
H 3.020450 0.102544 -1.349276
H 4.678312 -0.875916 0.118728
H 4.097315 -0.879707 1.787646
H 1.203204 -2.780568 -0.526482
H 2.540541 -2.339834 -1.597991
H 5.257796 -3.104851 0.486789
H 4.255342 -3.220107 1.934321
H 2.563333 -4.252057 0.734054
H 3.591106 -4.240348 -0.700533
H 1.743866 1.380362 1.164052
H 3.478092 1.202472 0.927622
H 0.775553 1.051417 -1.740684
H 0.777618 -0.726567 -1.878804
H 3.358048 2.564125 -1.196938
H 1.615343 2.751946 -0.989779
H 0.013582 0.485740 0.702231
H 3.751104 3.713229 1.030774
H 2.007053 3.895968 1.246595
H -1.736371 1.468001 -0.573497
H -1.636732 0.143094 -1.752497
H 3.010819 5.999515 0.330086
H 3.638423 5.128952 -1.072403
H 1.895340 5.313769 -0.854790
H -2.529303 -0.253581 1.206387
H -2.567091 -1.493373 -0.124353
H -5.241078 -2.501705 0.706441


%chk=000210279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210279

0 1
S -3.735428 -2.360601 0.663342
S -5.790146 -2.847733 0.384659
O -3.327028 -0.605060 -0.057148
O -2.628112 -3.256673 -0.588264
O -2.986187 -2.601866 2.083825
N -0.341324 1.470609 -0.811305
C 1.624397 -0.884393 0.222729
C 1.970547 0.376194 -0.614770
C 2.786401 -1.394259 1.129937
C 1.275117 -2.153963 -0.603864
C 2.495397 -2.908270 1.398843
C 1.317213 -3.291171 0.445339
C 2.508234 1.531563 0.278210
C 0.786528 0.846914 -1.518226
C 2.901226 2.823221 -0.477860
C 3.598434 3.859642 0.433619
C -1.700394 0.991615 -0.893747
C 3.968036 5.161745 -0.308821
C -1.945264 -0.221937 0.104592
H 0.758273 -0.643898 0.876897
H 2.787504 0.094301 -1.317387
H 3.747104 -1.278767 0.588568
H 2.871389 -0.816199 2.066959
H 0.301801 -2.106866 -1.125328
H 2.056684 -2.311071 -1.376353
H 3.391142 -3.519770 1.186614
H 2.226724 -3.089594 2.454857
H 0.363698 -3.306810 1.008953
H 1.448445 -4.288486 -0.011230
H 1.762663 1.772061 1.067359
H 3.400444 1.164301 0.820950
H 1.187597 1.562870 -2.267868
H 0.392312 -0.011733 -2.091237
H 3.579428 2.564354 -1.318078
H 2.009576 3.297232 -0.937525
H -0.120934 2.164789 -0.097074
H 4.513248 3.405940 0.866229
H 2.935839 4.096717 1.291477
H -2.409406 1.796204 -0.634906
H -1.934620 0.638345 -1.912589
H 4.470473 5.881925 0.362417
H 4.650792 4.955762 -1.154779
H 3.066668 5.655121 -0.719239
H -1.726181 0.101546 1.141497
H -1.270380 -1.044583 -0.191243
H -2.249629 -4.042563 -0.092929


