%chk=000281426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281426

0 1
S -4.332553 -1.159712 2.569838
O -3.134661 0.785726 0.577485
O -5.131123 -2.336931 2.825801
O -4.463817 0.010055 3.391649
O 1.728808 1.592074 -0.972336
O 5.426729 -1.226872 0.263662
O 2.686962 -4.249352 -0.672651
N -4.888414 -0.745992 0.955694
N -2.752921 1.748748 -0.364384
N 3.463127 -0.330183 -0.546983
N 1.376226 -2.632652 1.824096
N 2.017908 -2.103613 0.899042
C -2.685016 -1.572278 2.353623
C -4.377243 0.258868 0.161861
C -4.773432 0.876946 -1.014322
C -2.324365 -2.904628 2.104422
C -1.701943 -0.576641 2.425032
C -3.705042 1.815291 -1.309870
C -0.012886 -2.235388 1.958406
C -0.988540 -3.247219 1.904692
C -0.359503 -0.901286 2.229178
C 3.444902 -2.464662 0.759341
C -6.000545 0.641335 -1.795752
C -3.637116 2.731410 -2.468157
C 4.212472 -1.268664 0.142216
C 3.970271 0.920428 -1.029873
C 3.625174 -3.724422 -0.134308
C 3.021295 1.962345 -1.277310
C 5.321596 1.164951 -1.279339
C 3.426126 3.197497 -1.775788
C 5.725523 2.413406 -1.775961
C 5.030567 -4.212852 -0.214984
C 4.790309 3.414832 -2.023762
C 0.676316 2.573705 -1.138263
H -5.753661 -1.183338 0.598439
H -3.095128 -3.685042 2.067570
H -1.983954 0.469259 2.616426
H 3.946552 -2.683296 1.748247
H -0.699576 -4.280057 1.701621
H 0.405607 -0.124050 2.265581
H -5.943326 -0.301634 -2.360841
H -6.891711 0.595034 -1.152415
H -6.177831 1.445017 -2.525434
H -4.486923 3.433256 -2.464353
H -2.715932 3.334473 -2.473982
H -3.673928 2.172254 -3.416633
H 2.435437 -0.436391 -0.613150
H 6.065127 0.385889 -1.076529
H 2.708344 3.988740 -1.968701
H 6.782781 2.591727 -1.965138
H 5.269707 -4.883935 0.624052
H 5.202440 -4.788047 -1.138452
H 5.780723 -3.398420 -0.188248
H 5.112769 4.380614 -2.411606
H 0.861484 3.442421 -0.501350
H 0.576639 2.845669 -2.191371
H -0.206732 2.012887 -0.786827


%chk=000281426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281426

0 1
S -4.192403 -1.151475 1.915796
O -2.994940 0.551377 -0.848582
O -5.121540 -2.376936 2.449437
O -4.308792 0.360284 2.514139
O 1.801487 1.157265 -0.834787
O 5.909123 -1.263106 0.518451
O 3.126602 -4.297408 -0.401621
N -4.537444 -1.080930 -0.119755
N -2.983552 1.873602 -1.473934
N 3.822835 -0.326641 -0.074864
N 1.637455 -2.867632 1.814990
N 2.411352 -2.064094 1.161676
C -2.389192 -1.669256 1.937395
C -4.346016 0.165792 -0.667420
C -5.183763 1.181297 -1.151579
C -2.085082 -3.032967 2.079539
C -1.429907 -0.651383 1.791081
C -4.292038 2.192936 -1.658168
C 0.270003 -2.405907 1.863386
C -0.721719 -3.397134 2.067798
C -0.078615 -1.032458 1.744161
C 3.828766 -2.463647 1.102648
C -6.684358 1.212313 -1.138868
C -4.652067 3.505183 -2.294205
C 4.639961 -1.277819 0.484999
C 4.166269 0.877144 -0.731674
C 4.054359 -3.778294 0.255115
C 3.063723 1.685483 -1.158399
C 5.488165 1.308641 -0.986667
C 3.288547 2.898607 -1.838391
C 5.707481 2.529327 -1.665885
C 5.456529 -4.344148 0.339153
C 4.617390 3.318425 -2.091390
C 0.605349 1.844865 -1.342517
H -5.519417 -1.411909 -0.164768
H -2.880755 -3.773126 2.206113
H -1.733894 0.396176 1.711627
H 4.245029 -2.673877 2.108675
H -0.411853 -4.440329 2.179921
H 0.708343 -0.285265 1.607141
H -7.108402 1.019316 -2.142938
H -7.100415 0.457249 -0.448069
H -7.056558 2.199301 -0.810423
H -5.270048 4.117899 -1.612802
H -3.741060 4.072753 -2.543108
H -5.232088 3.348986 -3.221767
H 2.810816 -0.516441 0.039401
H 6.319598 0.685361 -0.650332
H 2.447572 3.516279 -2.166804
H 6.733186 2.858449 -1.861574
H 5.582311 -4.847141 1.318500
H 5.614388 -5.082782 -0.461760
H 6.206542 -3.534350 0.293906
H 4.791876 4.262188 -2.619074
H 0.508808 2.852938 -0.897133
H 0.634311 1.921667 -2.445384
H -0.248156 1.222653 -1.041505


