%chk=000232092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232092

0 1
S 6.009343 -0.965736 0.914401
S -6.009335 -0.965884 -0.914220
O 7.096601 -0.699254 1.835309
O 5.580214 -2.318202 0.648181
O -7.096592 -0.699561 -1.835173
O -5.580207 -2.318305 -0.647765
N 4.707740 -0.077002 1.607942
N -4.707732 -0.077272 -1.607915
C 0.696124 -0.122218 0.246281
C -0.696116 -0.122260 -0.246247
C 3.354617 -0.108200 1.170393
C -3.354608 -0.108397 -1.170361
C 2.494271 0.984522 1.471716
C -2.494259 0.984269 -1.471878
C 1.178648 0.957886 1.003847
C -1.178637 0.957712 -1.004004
C 1.547509 -1.200619 -0.028706
C -1.547504 -1.200610 0.028931
C 2.862868 -1.200259 0.434636
C -2.862863 -1.200327 -0.434411
C 2.972439 2.151128 2.275591
C -2.972423 2.150734 -2.275960
C 6.303289 -0.155450 -0.581512
C -6.303279 -0.155339 0.581554
C 7.311487 0.812429 -0.653883
C -7.311465 0.812565 0.653753
C 5.550182 -0.470151 -1.716876
C -5.550183 -0.469856 1.716975
C 7.561091 1.472573 -1.859876
C -7.561067 1.472919 1.859631
C 5.797792 0.190485 -2.924276
C -5.797792 0.190989 2.924261
C 6.801983 1.161806 -2.994128
C -6.801971 1.162335 2.993941
H 0.508877 1.787201 1.232524
H -0.508863 1.786984 -1.232827
H 1.181407 -2.050395 -0.605461
H -1.181404 -2.050284 0.605837
H 3.489171 -2.081201 0.250586
H -3.489169 -2.081234 -0.250206
H 4.884429 0.470891 2.459194
H -4.884421 0.470473 -2.459261
H 3.222131 1.855366 3.304568
H 3.864596 2.611268 1.827043
H 2.214275 2.942428 2.352230
H -3.864567 2.610968 -1.827482
H -2.214249 2.942009 -2.352757
H -3.222136 1.854787 -3.304879
H 7.912813 1.047497 0.232276
H -7.912783 1.047489 -0.232450
H 4.769105 -1.236885 -1.669148
H -4.769116 -1.236609 1.669383
H 8.346684 2.224614 -1.917217
H -8.346650 2.224980 1.916839
H 5.209804 -0.053692 -3.808212
H -5.209812 -0.053045 3.808242
H 6.995944 1.677022 -3.936022
H -6.995930 1.677716 3.935746


%chk=000232092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232092

0 1
S 6.094580 -1.042665 0.855310
S -6.094471 -1.043373 -0.855050
O 7.395215 -0.681680 1.761627
O 5.843120 -2.502795 0.193586
O -7.394921 -0.682552 -1.761694
O -5.843162 -2.503364 -0.192976
N 4.568421 -0.744515 2.081410
N -4.568247 -0.745514 -2.080928
C 0.679364 -0.677956 0.301756
C -0.679175 -0.678106 -0.301337
C 3.291255 -0.668644 1.472762
C -3.291095 -0.669376 -1.472295
C 2.525641 0.545520 1.433768
C -2.525390 0.544757 -1.434115
C 1.234257 0.504407 0.870514
C -1.233998 0.503922 -0.870855
C 1.472272 -1.862305 0.335249
C -1.472159 -1.862422 -0.334069
C 2.746580 -1.863268 0.920882
C -2.746481 -1.863683 -0.919674
C 3.079929 1.835363 2.012400
C -3.079567 1.834237 -2.013656
C 5.985618 0.231035 -0.550123
C -5.985730 0.230616 0.550142
C 6.693950 1.435541 -0.399931
C -6.693929 1.435147 0.399533
C 5.210933 -0.092577 -1.676453
C -5.211342 -0.092831 1.676724
C 6.610639 2.377087 -1.451880
C -6.610797 2.376898 1.451313
C 5.135143 0.867029 -2.713188
C -5.135729 0.866977 2.713285
C 5.829064 2.094898 -2.598364
C -5.829523 2.094879 2.598042
H 0.633169 1.420906 0.891555
H -0.632846 1.420365 -0.892520
H 1.093341 -2.786562 -0.112793
H -1.093269 -2.786424 0.114532
H 3.347019 -2.776803 0.963682
H -3.346957 -2.777222 -0.961907
H 4.862959 0.108337 2.591475
H -4.862798 0.107029 -2.591482
H 3.260564 1.760464 3.102716
H 4.038600 2.118035 1.534949
H 2.376065 2.669400 1.856375
H -4.038345 2.117202 -1.536595
H -2.375746 2.668379 -1.858000
H -3.259966 1.758653 -3.103964
H 7.312538 1.609531 0.486993
H -7.312299 1.609008 -0.487567
H 4.709656 -1.062897 -1.747461
H -4.710165 -1.063179 1.748053
H 7.160892 3.320938 -1.378728
H -7.160957 3.320779 1.377837
H 4.541573 0.650177 -3.607194
H -4.542396 0.650258 3.607479
H 5.770902 2.829300 -3.408962
H -5.771498 2.829439 3.408507


