%chk=000195822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195822

0 1
S 7.680588 -1.986078 -0.396868
O 1.698117 1.166665 -0.935581
O 4.241514 1.121874 2.281653
O 8.645412 -2.728506 -1.175254
O 7.970392 -0.653489 0.064345
N -1.624579 1.292648 0.229578
N 6.303588 -1.940243 -1.443871
N -10.271545 -1.501976 -0.399347
C 1.273309 1.718409 0.372665
C -2.977460 0.854544 -0.276592
C 0.302160 2.831754 -0.042473
C 0.568356 0.598095 1.150257
C -0.963277 2.265252 -0.705196
C -0.701924 0.122729 0.429618
C 2.489384 2.264735 1.128171
C -3.896190 2.079609 -0.474254
C -3.633594 -0.065727 0.779712
C -5.237780 1.644022 -1.070091
C -5.074369 -0.362817 0.483382
C -5.841039 0.458353 -0.369094
C 3.598039 1.238026 1.264500
C 2.856799 0.440264 -0.983422
C 3.811898 0.426042 0.043673
C -5.674346 -1.473670 1.099562
C -7.190643 0.156139 -0.593727
C 3.052632 -0.292751 -2.174602
C 4.982136 -0.335088 -0.112210
C -7.016844 -1.776603 0.878085
C -7.776118 -0.957068 0.027400
C 5.177252 -1.086736 -1.277430
C 4.205113 -1.046043 -2.314997
C -9.157202 -1.258543 -0.208511
C 7.132591 -2.943064 0.949566
H -2.892520 0.297362 -1.245216
H 0.799617 3.530627 -0.742941
H 0.020723 3.418456 0.856098
H 0.301209 0.970765 2.161304
H 1.250163 -0.259637 1.304579
H -1.668014 3.100375 -0.917560
H -0.694222 1.804737 -1.682727
H -0.423093 -0.370605 -0.528842
H -1.210631 -0.641284 1.056605
H 2.193653 2.638712 2.130332
H 2.909057 3.152566 0.605977
H -3.420288 2.834446 -1.130826
H -4.050650 2.587558 0.499374
H -3.565749 0.423427 1.779737
H -3.054822 -1.007865 0.874176
H -5.110606 1.393734 -2.146178
H -5.942910 2.501663 -1.045779
H -5.086277 -2.108605 1.762290
H -7.791432 0.785234 -1.251564
H 2.299234 -0.247678 -2.959134
H 5.732401 -0.285591 0.686112
H -7.474374 -2.640436 1.360281
H 4.367768 -1.614953 -3.231177
H 6.412854 -2.326958 -2.391856
H 7.695158 -3.884044 1.062162
H 7.231871 -2.419918 1.915967
H 6.075013 -3.244348 0.892860


%chk=000195822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195822

0 1
S 7.842877 -1.758172 -1.035844
O 1.664431 0.931757 -0.808593
O 4.189252 1.098333 2.540318
O 8.498792 -2.582114 -2.286310
O 7.658065 -0.138959 -1.083953
N -1.741753 1.351378 0.275738
N 6.036520 -2.636078 -0.541692
N -10.545264 -1.220601 -0.891333
C 1.216176 1.645775 0.459729
C -3.106433 1.017125 -0.246504
C 0.296394 2.769776 -0.039736
C 0.410336 0.641668 1.313335
C -0.998136 2.228289 -0.673715
C -0.888636 0.181376 0.621229
C 2.460858 2.188760 1.191512
C -4.043054 2.247319 -0.145747
C -3.767489 -0.141458 0.535116
C -5.376347 1.980721 -0.872877
C -5.240357 -0.346280 0.190243
C -6.012540 0.659839 -0.457094
C 3.494782 1.101329 1.484260
C 2.762106 0.086291 -0.711276
C 3.659640 0.095751 0.401799
C -5.863491 -1.572157 0.541782
C -7.378325 0.418645 -0.728250
C 2.977855 -0.806014 -1.793200
C 4.735386 -0.818473 0.429452
C -7.221406 -1.814450 0.273624
C -7.994290 -0.808267 -0.369952
C 4.954983 -1.723784 -0.636083
C 4.071550 -1.680293 -1.764471
C -9.387527 -1.033345 -0.654446
C 8.822476 -2.190976 0.535780
H -3.042452 0.712720 -1.325749
H 0.842630 3.388884 -0.775284
H 0.036811 3.408813 0.825226
H 0.147776 1.145260 2.263385
H 1.030309 -0.239555 1.564684
H -1.632738 3.084044 -0.957306
H -0.746029 1.675220 -1.612346
H -0.632277 -0.424686 -0.284405
H -1.428896 -0.474613 1.321910
H 2.172254 2.675455 2.138732
H 2.949234 2.955854 0.554987
H -3.570810 3.146217 -0.578489
H -4.219088 2.458678 0.926509
H -3.676006 0.080171 1.619696
H -3.235703 -1.094559 0.359147
H -5.199759 1.966077 -1.968784
H -6.083355 2.811219 -0.687420
H -5.268223 -2.349459 1.036074
H -7.976978 1.191936 -1.223259
H 2.285824 -0.785908 -2.639854
H 5.402159 -0.808162 1.297592
H -7.688007 -2.764218 0.552065
H 4.250239 -2.351991 -2.613314
H 6.011036 -3.343172 -1.307373
H 8.808101 -3.285481 0.617356
H 9.833508 -1.789984 0.378482
H 8.298512 -1.702969 1.367598


