%chk=000180493.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180493

0 1
S -5.593843 0.281043 0.804681
O 3.246358 -0.929365 -1.648090
O 5.586474 2.025498 0.733086
O 4.624012 0.991160 2.473297
O -4.175237 -2.250168 1.458724
N 2.931139 -0.276172 0.512052
N -1.799180 4.166885 -1.446460
C 2.391651 2.172679 0.439811
C 3.463351 1.077508 0.276073
C 1.341114 2.093538 -0.674381
C 2.154839 -2.522682 -0.142337
C 0.289918 3.198858 -0.523684
C 2.825801 -1.200234 -0.539770
C 0.689407 -2.265275 0.133045
C -0.716509 3.164185 -1.684985
C 4.566722 1.314646 1.312740
C 2.339294 -3.555826 -1.253684
C 0.133800 -2.629832 1.367278
C -0.112932 -1.646995 -0.839560
C -1.999172 -1.710442 0.676701
C -1.211137 -2.361006 1.634571
C -1.452623 -1.369574 -0.568054
C -3.433707 -1.408477 0.994424
C -3.893608 -0.042954 0.732262
C -3.199495 1.107022 0.454876
C -4.053537 2.250052 0.284774
C -5.379596 1.958050 0.440296
H 1.902605 2.093020 1.431669
H 2.884080 3.167494 0.423632
H 3.911380 1.124200 -0.764486
H 0.849836 1.098952 -0.660898
H 1.836111 2.167235 -1.664089
H 2.658120 -2.914742 0.781455
H -0.251619 3.088990 0.438363
H 0.780405 4.190372 -0.476040
H 2.518755 -0.448079 1.427364
H -0.187060 3.315121 -2.650925
H -1.200784 2.162695 -1.741933
H 1.777502 -4.473045 -1.041295
H 3.396726 -3.823252 -1.377374
H 1.999189 -3.170757 -2.226086
H 0.740276 -3.132535 2.119362
H 0.312689 -1.387269 -1.810104
H -1.652748 -2.657923 2.588731
H -2.076382 -0.892832 -1.326199
H -1.404980 5.091548 -1.296892
H -2.397893 4.233335 -2.265608
H 6.338314 2.210724 1.359406
H -2.121244 1.181074 0.374014
H -3.645954 3.230648 0.049781
H -6.218127 2.630103 0.362663


%chk=000180493-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180493

0 1
S -5.786074 0.277753 0.994152
O 2.929861 -0.797721 -1.816742
O 5.465220 2.372103 1.025049
O 4.850732 0.575671 2.364527
O -4.140725 -2.154755 1.918346
N 3.067102 -0.320528 0.455442
N -1.736516 4.128349 -1.517226
C 2.504488 2.145994 0.408760
C 3.599504 1.034311 0.279700
C 1.472619 2.102160 -0.738841
C 2.135022 -2.508675 -0.202943
C 0.338249 3.134353 -0.548562
C 2.763349 -1.150457 -0.609214
C 0.657105 -2.270864 0.130802
C -0.611454 3.191641 -1.762631
C 4.683742 1.258875 1.328949
C 2.330867 -3.554252 -1.324449
C 0.119970 -2.645005 1.389142
C -0.197173 -1.645654 -0.814973
C -2.053376 -1.675227 0.793192
C -1.223727 -2.366582 1.712472
C -1.531606 -1.339736 -0.484713
C -3.463606 -1.345241 1.204222
C -4.010388 -0.038994 0.794624
C -3.352888 1.113498 0.349854
C -4.214230 2.241486 0.143213
C -5.544741 1.958321 0.431817
H 1.992256 2.026273 1.384691
H 3.011938 3.129796 0.419908
H 4.042449 1.091874 -0.731891
H 1.036738 1.087794 -0.807229
H 1.991635 2.282115 -1.701706
H 2.641468 -2.868064 0.715196
H -0.255070 2.892136 0.355413
H 0.774736 4.142508 -0.379990
H 2.989001 -0.665498 1.416264
H -0.010398 3.446263 -2.669110
H -1.037645 2.184479 -1.938455
H 1.836200 -4.503085 -1.053372
H 3.404430 -3.747233 -1.495830
H 1.904408 -3.186974 -2.272380
H 0.760030 -3.152565 2.121548
H 0.196156 -1.380321 -1.803361
H -1.644838 -2.661354 2.679402
H -2.179244 -0.859149 -1.225501
H -1.415755 5.073173 -1.270425
H -2.406131 4.164939 -2.295350
H 6.140190 2.515636 1.742885
H -2.271519 1.161174 0.208929
H -3.829921 3.206060 -0.200406
H -6.409942 2.616398 0.358999


