%chk=000187721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187721

0 1
S 1.275318 -2.038850 -2.647361
S -0.390541 1.388833 -0.496338
O -1.033095 2.104826 0.596464
O -0.573096 1.871129 -1.854592
N -0.942080 -0.245235 -0.491947
C -0.449135 -2.151087 -1.963772
C -1.221463 -0.856059 -1.817461
C -0.284384 -2.748255 -3.326882
C -1.731312 -0.833691 0.630698
C -3.221550 -0.527420 0.520340
C -1.174421 -0.412667 1.991792
C 1.293033 1.252204 -0.158780
C 2.191823 0.973665 -1.194481
C 1.767588 1.434602 1.145138
C -4.103667 -1.570791 0.199114
C -3.727979 0.760482 0.734907
C 4.035295 1.031114 0.382837
C 3.557002 0.859976 -0.926348
C 3.130237 1.322361 1.418820
C 5.503429 0.899246 0.675496
C -5.475581 -1.326428 0.093652
C -5.100252 1.003026 0.627234
C -5.976646 -0.038236 0.306695
C 5.865472 -0.563442 0.985602
C 7.353116 -0.723094 1.282535
H -0.552679 -2.831003 -1.104227
H -0.968529 -0.136125 -2.640387
H -2.312922 -1.068086 -1.946221
H -0.715227 -2.246938 -4.195930
H -0.321882 -3.832342 -3.445709
H -1.590691 -1.952206 0.545490
H -1.311239 0.664601 2.190709
H -0.107750 -0.643616 2.083313
H -1.699534 -0.942212 2.796771
H 1.828778 0.853663 -2.222710
H 1.068958 1.678822 1.953230
H -3.725396 -2.577677 0.034998
H -3.046573 1.585508 0.984930
H 4.250060 0.636073 -1.735730
H 3.493639 1.462543 2.434965
H 5.794886 1.547777 1.526889
H 6.106929 1.262400 -0.181889
H -6.154346 -2.139866 -0.154290
H -5.484501 2.008630 0.792576
H 5.266909 -0.921163 1.847027
H 5.578960 -1.207868 0.130151
H -7.044412 0.152872 0.223132
H 7.661922 -0.126417 2.148595
H 7.601220 -1.768557 1.501687
H 7.973011 -0.412921 0.433267


%chk=000187721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187721

0 1
S 0.458009 -2.442925 -3.229282
S -0.291802 1.477362 -0.789907
O -0.986041 2.418054 0.360691
O -0.342498 1.973449 -2.345700
N -0.881171 -0.370667 -0.844994
C -1.321030 -2.038236 -2.618584
C -1.595379 -0.626191 -2.121898
C -1.246728 -2.296440 -4.095717
C -1.525115 -0.935640 0.393829
C -3.040067 -0.717586 0.530996
C -0.752653 -0.554195 1.676406
C 1.509652 1.249175 -0.294641
C 2.336010 0.459484 -1.111422
C 1.965775 1.937984 0.839053
C -3.902093 -1.843647 0.532954
C -3.603917 0.577794 0.674684
C 4.213852 1.024813 0.390976
C 3.696446 0.353612 -0.750319
C 3.332560 1.815404 1.174288
C 5.671421 0.860984 0.788278
C -5.299582 -1.689618 0.683473
C -5.000343 0.732198 0.819671
C -5.853097 -0.397271 0.825977
C 5.902446 -0.384818 1.692185
C 7.383146 -0.552363 2.091932
H -1.724794 -2.848953 -2.000042
H -1.228968 0.108270 -2.863368
H -2.695262 -0.496564 -2.021358
H -1.328782 -1.439267 -4.772097
H -1.634143 -3.242639 -4.485076
H -1.366757 -2.027020 0.247019
H -0.893334 0.507975 1.936284
H 0.325369 -0.758561 1.553878
H -1.130825 -1.161656 2.516494
H 1.934158 -0.061424 -1.987026
H 1.274344 2.551437 1.425680
H -3.476715 -2.850822 0.425150
H -2.950772 1.459460 0.671452
H 4.366379 -0.255796 -1.368178
H 3.719205 2.347510 2.051360
H 6.022769 1.760235 1.330486
H 6.304151 0.761945 -0.115372
H -5.950726 -2.571150 0.686208
H -5.424041 1.737141 0.927864
H 5.273756 -0.294074 2.599800
H 5.550666 -1.289429 1.158277
H -6.935711 -0.270628 0.939436
H 7.748074 0.330344 2.650122
H 7.525036 -1.440304 2.734289
H 8.025823 -0.674644 1.199787


