%chk=000187629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187629

0 1
S -0.858115 0.682909 -1.881701
O -2.861447 1.903642 1.437697
O 0.204003 0.294238 -2.796188
O -1.973583 1.454193 -2.401145
N -0.176839 1.641431 -0.621117
C -1.471378 2.356756 1.328491
C -1.019600 2.728585 -0.076184
C -2.504699 3.192999 2.030250
C 1.293320 1.802999 -0.441136
C 1.889699 0.458962 -0.034244
C 1.975689 2.404983 -1.673248
C -1.445224 -0.711963 -1.055206
C 1.996507 0.161997 1.331500
C 2.342770 -0.468460 -0.981415
C 2.560844 -1.052038 1.753281
C -2.593926 -0.624705 -0.262001
C -0.770596 -1.931200 -1.184053
C 2.908538 -1.674898 -0.562472
C 3.021400 -1.971032 0.798097
C -3.073117 -1.761359 0.397628
C -1.249262 -3.067177 -0.526233
C 2.661532 -1.355493 3.213846
C -2.401503 -2.980525 0.264007
H -0.774690 1.739456 1.906671
H -0.475594 3.699770 -0.048656
H -1.916697 2.903228 -0.730890
H -2.560339 3.215502 3.115901
H -2.962940 4.048941 1.540278
H 1.451410 2.520724 0.415113
H 3.055212 2.505185 -1.517114
H 1.575567 3.394089 -1.916120
H 1.840260 1.776735 -2.572325
H 1.637607 0.871293 2.073372
H 2.239134 -0.253383 -2.051283
H -3.123331 0.331354 -0.146499
H 0.133786 -1.996172 -1.800881
H 3.265598 -2.388819 -1.303700
H 3.465117 -2.911936 1.113867
H -3.966781 -1.690998 1.015968
H -0.725244 -4.015651 -0.626785
H 3.177576 -0.552100 3.757567
H 1.663957 -1.466545 3.662912
H 3.210721 -2.283815 3.417079
H -2.775444 -3.866602 0.777674


%chk=000187629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187629

0 1
S -0.973329 0.633281 -1.693336
O -2.489875 2.298206 1.746701
O 0.060669 0.226646 -2.892365
O -2.389551 1.361739 -2.067226
N -0.176230 1.741404 -0.326167
C -1.346203 3.171517 1.284784
C -0.932064 3.007867 -0.167973
C -2.661789 3.795982 1.643841
C 1.323276 1.837409 -0.409427
C 1.955541 0.470962 -0.102002
C 1.863799 2.549082 -1.672796
C -1.349442 -0.927556 -0.703756
C 1.596941 -0.184958 1.102335
C 2.907615 -0.136768 -0.954541
C 2.158505 -1.430601 1.470651
C -2.238970 -0.823350 0.378255
C -0.748271 -2.120792 -1.128146
C 3.485177 -1.375926 -0.598284
C 3.116979 -2.018034 0.604555
C -2.539036 -2.014093 1.079869
C -1.065609 -3.298558 -0.411633
C 1.720667 -2.131309 2.745652
C -1.957391 -3.243883 0.685204
H -0.530813 3.217003 2.020007
H -0.346577 3.893436 -0.494581
H -1.840447 2.952654 -0.802114
H -2.774326 4.314137 2.603729
H -3.333505 4.121946 0.839511
H 1.548891 2.490945 0.464174
H 2.947251 2.739988 -1.571696
H 1.366256 3.526368 -1.810127
H 1.683955 1.942935 -2.575084
H 0.839521 0.277843 1.748094
H 3.190141 0.340060 -1.897175
H -2.666062 0.140463 0.675969
H -0.058620 -2.121013 -1.978271
H 4.222847 -1.842002 -1.261510
H 3.571899 -2.979284 0.874080
H -3.225667 -1.976200 1.932045
H -0.616264 -4.250759 -0.712165
H 1.617358 -1.420484 3.585343
H 0.735023 -2.616912 2.606941
H 2.439569 -2.913350 3.046428
H -2.201939 -4.160938 1.232807


