%chk=000210337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210337

0 1
S 1.194123 -1.203265 -1.876648
S 2.882563 -0.683820 -0.827827
O -5.278263 -1.959929 -0.434921
O 4.145271 3.218248 -1.110218
O 3.722534 -2.111849 -0.991353
O 3.642572 0.277355 -1.566258
O 2.552038 -0.505468 0.545848
N -1.790591 -3.009796 0.149201
C -3.284933 1.845938 -0.206312
C -3.216327 0.349046 -0.535747
C -2.357744 2.299599 0.928751
C -3.591468 -0.548632 0.648111
C -0.867426 2.172603 0.585175
C -4.016031 -1.967435 0.253916
C 0.008196 2.850800 1.648266
C 1.503601 2.555701 1.473649
C -3.014430 -2.726188 -0.652410
C 2.095884 3.181013 0.206815
C -0.528377 -2.924351 -0.645107
C 3.629771 3.142037 0.224826
C -0.068660 -1.467723 -0.589865
H -4.327820 2.114560 0.058781
H -3.053624 2.425258 -1.123004
H -3.887936 0.144221 -1.393862
H -2.188574 0.088288 -0.882853
H -2.577913 1.725140 1.849300
H -2.592004 3.355238 1.174728
H -2.730466 -0.620780 1.346451
H -4.415382 -0.086425 1.229352
H -0.592369 1.104789 0.501533
H -0.665041 2.619612 -0.406655
H -4.251791 -2.571074 1.162734
H -0.304043 2.514070 2.657137
H -0.163132 3.944658 1.631350
H 1.677880 1.457761 1.468391
H 2.044860 2.934226 2.363982
H -3.511864 -3.646556 -1.030518
H -2.783077 -2.122125 -1.552729
H 1.753130 4.227230 0.090494
H 1.722246 2.661000 -0.695487
H -1.866904 -3.930571 0.591358
H 0.238563 -3.585448 -0.179598
H -0.644734 -3.274860 -1.695016
H -5.310921 -1.249754 -1.105511
H 4.061325 4.036915 0.709378
H 4.021910 2.234358 0.715573
H -0.916050 -0.760527 -0.795174
H 0.297455 -1.203388 0.427229
H 4.014907 2.354173 -1.574732
H 4.656965 -2.048675 -1.265826


%chk=000210337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210337

0 1
S 1.575444 -2.383119 -2.336658
S 3.314677 -0.871942 -1.177465
O -5.417865 -1.954251 -0.509456
O 4.123337 3.016925 -1.147919
O 4.683789 -2.107694 -0.962203
O 4.037068 0.414175 -1.897213
O 2.647257 -0.566022 0.277514
N -1.783435 -2.754991 0.063680
C -3.475680 2.014467 0.003599
C -3.440273 0.529932 -0.439667
C -2.480011 2.402552 1.125462
C -3.806398 -0.464301 0.690088
C -0.986445 2.195631 0.773854
C -4.133765 -1.903239 0.215249
C -0.052278 2.906238 1.782773
C 1.454177 2.602226 1.605502
C -3.044218 -2.559039 -0.668761
C 2.019341 2.961057 0.209787
C -0.585823 -3.174808 -0.646477
C 3.563502 2.940746 0.205446
C 0.215466 -1.912445 -1.167088
H -4.505677 2.258330 0.336224
H -3.272939 2.650714 -0.881963
H -4.152823 0.416739 -1.286198
H -2.438115 0.291047 -0.847765
H -2.718283 1.850374 2.057617
H -2.637243 3.474712 1.363515
H -2.991111 -0.491957 1.441654
H -4.701000 -0.095751 1.229429
H -0.738351 1.113026 0.748993
H -0.793975 2.583437 -0.246951
H -4.314256 -2.546361 1.095201
H -0.355810 2.622930 2.812665
H -0.216247 4.001568 1.702689
H 1.645999 1.525762 1.793832
H 2.016086 3.162616 2.381740
H -3.428597 -3.540197 -1.007882
H -2.896940 -1.938264 -1.583630
H 1.667452 3.962444 -0.109269
H 1.649393 2.234861 -0.540003
H -1.631845 -2.141518 0.870619
H 0.086049 -3.760236 0.005419
H -0.887146 -3.818436 -1.490282
H -5.397911 -1.287712 -1.243553
H 3.965818 3.819708 0.739020
H 3.923184 2.026890 0.723172
H -0.457644 -1.188426 -1.657081
H 0.696911 -1.436128 -0.288457
H 3.986580 2.126627 -1.595101
H 5.538471 -1.583699 -1.019004


