%chk=000186259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186259

0 1
S -4.815002 -0.213889 1.414872
O 0.597741 0.629002 -2.390252
O 1.418400 2.024858 -0.811303
O -4.856112 0.763445 2.483195
O -6.009369 -0.565891 0.673073
N -4.215641 -1.677717 2.107990
C 4.124696 0.446162 -1.392119
C 3.450395 -0.217474 -0.191318
C 2.638549 0.012156 -1.474740
C 4.452643 1.915707 -1.303061
C 5.101174 -0.336920 -2.235607
C 3.767565 -1.600115 0.226376
C 1.554289 1.012533 -1.463940
C 4.817219 -1.921423 1.000863
C 5.075872 -3.336286 1.417360
C 5.791768 -0.909473 1.515739
C -0.576480 1.474481 -2.548488
C -1.634461 1.050322 -1.563190
C -2.706890 0.249182 -1.980834
C -1.550798 1.470946 -0.227575
C -3.688093 -0.131023 -1.060799
C -2.535329 1.087372 0.685318
C -3.595503 0.276121 0.271925
C -3.027309 -1.529692 2.978323
C -4.153702 -2.836817 1.189241
H 3.204814 0.435209 0.665095
H 2.405704 -0.859733 -2.107117
H 3.683532 2.489197 -0.759011
H 5.403505 2.077934 -0.781388
H 4.539265 2.369894 -2.298214
H 5.055213 -0.026914 -3.287212
H 4.910748 -1.418048 -2.201158
H 6.131619 -0.185938 -1.888942
H 3.068785 -2.358515 -0.124349
H 4.274552 -4.024034 1.118538
H 5.179838 -3.417098 2.508432
H 6.007789 -3.713440 0.973197
H 5.965904 -0.101607 0.790581
H 6.768605 -1.347120 1.754443
H 5.411894 -0.439717 2.434864
H -0.850452 1.280861 -3.603003
H -0.288314 2.537301 -2.420812
H -2.778791 -0.078391 -3.016826
H -0.710132 2.096502 0.092475
H -4.536962 -0.739586 -1.392367
H -2.480054 1.437136 1.722145
H -2.894773 -2.445822 3.581256
H -2.087285 -1.342934 2.435131
H -3.201477 -0.704346 3.697063
H -3.338857 -2.786387 0.449687
H -4.024783 -3.765234 1.773886
H -5.121307 -2.933139 0.657856


%chk=000186259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186259

0 1
S -4.592864 -0.312138 1.674628
O 0.726855 0.698346 -2.608815
O 1.718274 2.082948 -1.002902
O -4.615195 0.817544 2.843563
O -5.917042 -0.800178 0.866881
N -3.927559 -1.876969 2.518168
C 4.398659 0.561492 -1.872401
C 3.821862 -0.105635 -0.614590
C 2.900256 0.113963 -1.870439
C 4.745310 2.046961 -1.795180
C 5.319925 -0.234255 -2.797155
C 4.163432 -1.482119 -0.174956
C 1.781289 1.071704 -1.751761
C 4.171890 -1.953321 1.108586
C 4.564848 -3.392072 1.400891
C 3.812453 -1.134074 2.335395
C -0.489885 1.580897 -2.579962
C -1.486282 1.112659 -1.539259
C -2.532555 0.225133 -1.900244
C -1.389920 1.575693 -0.199860
C -3.470691 -0.214951 -0.940570
C -2.318057 1.149275 0.774645
C -3.328645 0.257834 0.374690
C -2.693675 -1.581208 3.280865
C -3.835306 -2.997551 1.555497
H 3.590898 0.611065 0.181939
H 2.669644 -0.766713 -2.475825
H 4.040673 2.601352 -1.154019
H 5.765489 2.169620 -1.385130
H 4.728060 2.507236 -2.801516
H 5.340399 0.225560 -3.802462
H 5.004860 -1.285208 -2.916586
H 6.352865 -0.233731 -2.400821
H 4.442276 -2.187100 -0.971898
H 4.820167 -3.945973 0.480814
H 3.742809 -3.933083 1.911207
H 5.439327 -3.435476 2.080678
H 3.500096 -0.104220 2.100477
H 4.672767 -1.078390 3.031733
H 2.987206 -1.618110 2.894613
H -0.890892 1.486626 -3.601083
H -0.159354 2.615578 -2.385201
H -2.618241 -0.119781 -2.937112
H -0.582115 2.264273 0.069008
H -4.306595 -0.870411 -1.205614
H -2.284527 1.522160 1.803461
H -2.547056 -2.407302 4.000346
H -1.780057 -1.493452 2.650150
H -2.844999 -0.653155 3.856903
H -2.954099 -2.942305 0.876717
H -3.767437 -3.930366 2.144386
H -4.765336 -3.037075 0.964421


