%chk=000187068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187068

0 1
S -6.162009 -0.436639 1.312634
O 1.649592 -3.360169 0.313960
O -0.390568 -1.175164 -3.497354
O 3.612617 -1.909151 -1.080125
O 2.300425 -1.802687 -3.540766
O 2.563849 -2.123150 2.302245
O 2.051002 3.402296 0.091569
O 4.808512 3.696259 0.744309
O -7.006528 -1.963598 -0.637649
N 1.624316 -1.915850 0.157291
N -4.352850 0.434655 -0.970142
N -5.392472 -0.479362 -1.305715
C 0.279785 -1.406838 0.178134
C -0.437937 -1.118322 -1.025031
C -2.428790 -0.425409 0.252576
C 2.434219 -1.815330 -1.206491
C -1.716271 -0.640974 -1.000857
C -0.420373 -1.253476 1.419623
C 2.473426 -1.372420 1.385059
C 0.257943 -1.317370 -2.306150
C -3.697135 0.084752 0.287275
C 1.583277 -1.635817 -2.377412
C -1.692626 -0.777732 1.461062
C -4.480937 0.305035 1.536242
C 3.013642 -0.027063 1.167044
C -4.683600 1.764870 1.897863
C 2.201533 1.025399 0.693195
C 4.360376 0.197289 1.486450
C -6.217096 -1.099409 -0.357774
C 2.743535 2.292671 0.537140
C 4.913541 1.466410 1.320912
C 4.123379 2.525918 0.847658
C 0.644661 3.229098 -0.221991
C 4.112142 4.877287 0.257801
H -2.249852 -0.400885 -1.923628
H 0.088312 -1.530402 2.346815
H -2.211253 -0.665796 2.413288
H -4.026407 -0.245062 2.401395
H 0.738818 -3.653030 0.650247
H -4.792836 1.374624 -0.866684
H -5.257680 1.881567 2.827388
H -3.716534 2.264941 2.046005
H -5.221801 2.326471 1.123259
H 1.146473 0.838497 0.470342
H 4.984182 -0.620733 1.857984
H -5.179436 -0.997074 -2.168658
H -1.364745 -0.944683 -3.357265
H 1.676965 -1.764738 -4.326580
H 5.963410 1.655782 1.554852
H 0.088271 2.920146 0.668293
H 0.521189 2.521625 -1.047295
H 0.363339 4.244980 -0.529155
H 3.292109 5.134078 0.937014
H 3.745794 4.703639 -0.759756
H 4.911604 5.627942 0.280851


%chk=000187068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187068

0 1
S -6.504872 -0.644438 1.947103
O 2.590909 -0.392418 -3.617810
O -1.058305 -3.105215 -2.476478
O 1.112922 0.661266 -2.168289
O 1.030347 -2.485018 -3.944012
O 2.276595 -2.183407 2.113732
O 3.368190 3.519913 0.059948
O 5.538208 3.395920 1.959260
O -6.973689 -3.159557 0.961356
N 1.255569 -1.251727 0.250874
N -5.079001 -0.558919 -0.747277
N -5.691063 -1.817984 -0.447056
C -0.026198 -0.944534 0.292397
C -0.897501 -1.233975 -0.876544
C -2.888846 -0.375151 0.365246
C 1.441325 -0.360284 -2.833975
C -2.255921 -0.973841 -0.803430
C -0.679055 -0.348388 1.469512
C 2.169271 -1.186842 1.329151
C -0.371298 -1.924121 -2.069403
C -4.255843 -0.099799 0.361648
C 0.681243 -1.619586 -2.906589
C -2.022300 -0.074329 1.504936
C -5.036344 0.565212 1.459813
C 3.039013 0.020574 1.420689
C -5.633276 1.937690 1.082334
C 2.800090 1.169776 0.620635
C 4.094692 0.030473 2.367359
C -6.405159 -2.074515 0.718380
C 3.595351 2.325532 0.767226
C 4.909094 1.167452 2.490286
C 4.687917 2.319843 1.696461
C 2.145282 3.599341 -0.753475
C 5.976522 4.286734 0.864121
H -2.897482 -1.159316 -1.670544
H -0.046992 -0.141171 2.339671
H -2.452545 0.361797 2.412107
H -4.455449 0.654152 2.389860
H 3.058909 0.481439 -3.528622
H -5.806937 0.124925 -1.007280
H -6.281318 2.311377 1.893617
H -4.819448 2.668210 0.917971
H -6.250027 1.886943 0.166933
H 1.993365 1.149090 -0.118263
H 4.259452 -0.859117 2.982538
H -5.542657 -2.583968 -1.108480
H -1.561309 -3.493647 -1.718038
H 0.459652 -3.298650 -3.872870
H 5.740838 1.201815 3.200403
H 1.246267 3.460706 -0.122543
H 2.135637 2.844839 -1.560114
H 2.154635 4.614428 -1.177396
H 5.142828 4.900526 0.492347
H 6.402236 3.695179 0.032193
H 6.758979 4.912666 1.319681


