%chk=000238656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238656

0 1
S 2.339213 -0.928331 0.430939
O -3.202404 -1.185010 -0.038304
O -0.424774 -4.784234 0.758338
O 0.183781 -5.729322 -1.181289
O -2.222406 -1.210158 -2.116989
N -1.848898 -2.913701 -0.543612
C 0.591703 -2.427889 -1.059339
C -0.602828 -3.397376 -1.188986
C 0.898231 -2.032556 0.374936
C -0.239684 -4.761181 -0.605703
C 1.677923 0.640217 -0.227126
C 2.585333 1.697021 0.309975
C -2.380504 -1.704173 -1.020718
C -3.847681 0.096948 -0.337395
C 3.796593 1.985365 -0.339740
C 2.231077 2.410941 1.466602
C -2.880051 1.210579 -0.055429
C 4.641199 2.977860 0.163946
C 3.080273 3.402177 1.964144
C -2.834162 1.804635 1.213479
C -2.009669 1.649770 -1.064697
C 4.285272 3.688769 1.314428
C -1.926333 2.837141 1.467911
C -1.106140 2.682922 -0.806371
C -1.063063 3.277286 0.459685
H 0.364815 -1.526645 -1.674648
H 1.485671 -2.884399 -1.539337
H -0.826990 -3.546724 -2.290732
H 0.033014 -1.551951 0.868782
H 1.154689 -2.917487 0.996757
H -1.934449 -3.105624 0.463862
H 0.625197 0.792134 0.085500
H 1.674927 0.613763 -1.333654
H -4.706587 0.062951 0.359648
H -4.204233 0.086997 -1.384991
H 4.083391 1.431506 -1.232227
H 1.297570 2.186420 1.980409
H 5.580914 3.196119 -0.341134
H 2.804318 3.950647 2.863193
H -0.209944 -5.670244 1.161505
H -3.500753 1.461570 2.003575
H -2.035598 1.170625 -2.048227
H 4.945310 4.460463 1.704692
H -1.893251 3.299271 2.453329
H -0.434892 3.027950 -1.592051
H -0.355418 4.081862 0.658564


%chk=000238656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238656

0 1
S 2.597715 -1.170398 0.931361
O -3.148329 -1.068960 -0.590570
O -1.325101 -5.050601 0.550908
O 0.449882 -5.751290 -0.776784
O -1.417295 -1.025608 -2.204202
N -1.594559 -2.724445 -0.597461
C 0.929387 -2.712157 -0.800694
C -0.418670 -3.466847 -1.066246
C 1.180257 -2.403199 0.684487
C -0.364249 -4.863026 -0.457297
C 1.634181 0.437278 0.512153
C 2.576261 1.616326 0.506938
C -1.991803 -1.564879 -1.217697
C -3.607025 0.282752 -1.067871
C 3.311270 1.950804 -0.660554
C 2.748365 2.408504 1.671540
C -2.906466 1.398337 -0.322235
C 4.193306 3.054040 -0.665723
C 3.630888 3.512125 1.669928
C -3.425171 1.879452 0.907208
C -1.714113 1.968813 -0.839326
C 4.355839 3.838861 0.500280
C -2.761118 2.907127 1.613549
C -1.046924 2.994317 -0.132914
C -1.568552 3.464932 1.095137
H 0.879014 -1.778030 -1.386426
H 1.754054 -3.320907 -1.211538
H -0.485338 -3.601697 -2.164259
H 0.283166 -1.974306 1.164934
H 1.482366 -3.301513 1.250649
H -2.142965 -3.095989 0.180112
H 0.844222 0.548830 1.273274
H 1.166504 0.288313 -0.475291
H -4.687725 0.257941 -0.857915
H -3.423930 0.338375 -2.154484
H 3.192826 1.338928 -1.562928
H 2.188890 2.155634 2.580348
H 4.753041 3.301096 -1.574901
H 3.753236 4.114620 2.577140
H -1.243372 -5.967176 0.928479
H -4.348120 1.445262 1.311356
H -1.310657 1.592456 -1.786172
H 5.040356 4.694610 0.497053
H -3.171606 3.273666 2.561157
H -0.122106 3.423453 -0.534287
H -1.050130 4.261078 1.641286


