%chk=000187639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187639

0 1
S -0.111385 -1.055677 -0.542373
O -1.479333 3.638197 -1.297661
O -0.275031 -1.454891 -1.934093
O -0.789890 -1.843327 0.475401
N -0.651573 0.583028 -0.458703
C -0.567271 2.614451 -1.822116
C -1.075957 1.185668 -1.752465
C -1.226103 3.607111 -2.738385
C -1.439445 1.095535 0.710782
C 1.579847 -1.002714 -0.168988
C 2.370886 -2.157044 -0.308034
C -2.927578 0.792711 0.591551
C -0.865978 0.598143 2.037566
C 1.805838 -3.463946 -0.843131
C 2.151443 0.186861 0.299405
C 3.499445 0.250436 0.665251
C 3.722148 -2.093986 0.082673
C 4.116583 1.539551 1.171794
C 4.280339 -0.912146 0.560972
C -3.791215 1.831546 0.208752
C -3.450163 -0.480022 0.850961
C 1.227745 -4.271681 0.324098
C 2.848769 -4.279684 -1.617918
C 3.431885 1.994512 2.466865
C 4.050941 2.629630 0.094385
C -5.164893 1.601392 0.105633
C -4.825448 -0.708039 0.745394
C -5.684998 0.331234 0.377069
H 0.470365 2.764496 -1.505943
H -2.186586 1.160153 -1.875245
H -0.660256 0.602150 -2.614450
H -2.091102 3.331052 -3.337266
H -0.676955 4.467135 -3.114251
H -1.304894 2.220548 0.679623
H -1.406793 1.058277 2.875257
H 0.193197 0.847419 2.154115
H -0.972019 -0.493235 2.168086
H 0.976871 -3.247257 -1.577503
H 1.546298 1.096615 0.386050
H 4.343583 -2.987555 0.012950
H 5.198096 1.353661 1.404304
H 5.330604 -0.892045 0.854764
H -3.384346 2.820585 -0.019858
H -2.778782 -1.303628 1.125931
H 0.821768 -5.228618 -0.021873
H 1.979598 -4.485651 1.089594
H 0.397292 -3.733030 0.812984
H 3.638689 -4.671911 -0.968535
H 2.375338 -5.140958 -2.105470
H 3.320707 -3.679588 -2.404471
H 3.441357 1.199671 3.221600
H 3.938916 2.865601 2.896590
H 2.386501 2.277816 2.302652
H 3.019788 2.919923 -0.133919
H 4.578668 3.534405 0.415941
H 4.511311 2.291134 -0.840904
H -5.830084 2.411053 -0.186919
H -5.224559 -1.700175 0.948657
H -6.755078 0.152306 0.298525


%chk=000187639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187639

0 1
S -0.122197 -1.098453 -0.721442
O -1.218729 3.813188 -1.081508
O -0.131878 -1.345393 -2.341664
O -0.925497 -2.179660 0.212057
N -0.657327 0.745756 -0.448169
C -0.556478 2.713311 -1.894942
C -1.132693 1.319742 -1.736005
C -1.330081 3.791574 -2.588733
C -1.535061 1.056565 0.748058
C 1.696725 -1.060453 -0.150041
C 2.419650 -2.278487 -0.171306
C -3.040990 0.813548 0.561252
C -0.982691 0.440443 2.050973
C 1.850553 -3.632906 -0.608216
C 2.229142 0.178537 0.237524
C 3.575716 0.254396 0.670611
C 3.764841 -2.172220 0.274384
C 4.184507 1.589263 1.104595
C 4.327297 -0.945824 0.685871
C -3.906722 1.934376 0.467345
C -3.598235 -0.491250 0.501051
C 1.619881 -4.542682 0.628786
C 2.755461 -4.321696 -1.661985
C 3.461007 2.166511 2.350780
C 4.188428 2.619034 -0.056455
C -5.303323 1.761425 0.330743
C -4.993092 -0.662571 0.358369
C -5.851293 0.459693 0.276956
H 0.539838 2.778037 -1.879649
H -2.238425 1.355016 -1.786563
H -0.776589 0.672686 -2.564335
H -2.335266 3.567316 -2.967630
H -0.793877 4.598629 -3.101964
H -1.396047 2.156533 0.817225
H -1.532390 0.867957 2.907259
H 0.088839 0.677951 2.175537
H -1.108129 -0.653902 2.074735
H 0.866172 -3.473886 -1.083228
H 1.588293 1.064450 0.193666
H 4.382451 -3.076912 0.290234
H 5.239040 1.395540 1.386710
H 5.371430 -0.917944 1.020704
H -3.479504 2.944805 0.491091
H -2.939370 -1.366037 0.551383
H 1.208179 -5.517668 0.309663
H 2.565393 -4.730185 1.171715
H 0.899573 -4.076533 1.322741
H 3.747330 -4.584453 -1.249279
H 2.279750 -5.258940 -2.003363
H 2.906916 -3.672817 -2.542682
H 3.481653 1.453203 3.194115
H 3.944516 3.105471 2.677432
H 2.402552 2.395679 2.124644
H 3.156562 2.867393 -0.369072
H 4.676797 3.558582 0.261413
H 4.726564 2.228267 -0.938605
H -5.958156 2.637757 0.263133
H -5.410743 -1.674785 0.310033
H -6.933172 0.320219 0.169752


