%chk=000208830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208830

0 1
S 3.479424 -2.243554 0.500555
O -0.316735 0.554182 1.573433
O 3.632779 -2.955847 2.032151
O 2.945307 -3.300526 -0.313100
O 4.759495 -1.666684 0.199450
N 2.127069 -0.232887 -0.271784
N -1.228368 0.046285 -1.774069
N -1.511609 0.533895 -0.449150
C 2.986253 0.992562 -0.345075
C 0.752597 0.014595 -0.579354
C 2.484205 2.277349 0.354959
C 0.205855 -0.117271 -1.833922
C 2.304376 -1.019415 0.978286
C -0.318006 0.377438 0.378284
C 2.468973 2.145778 1.878690
C 3.374746 3.451326 -0.075132
C 0.869769 -0.464374 -3.103241
C -2.847150 0.345549 0.068437
C -1.848826 0.881514 -2.841441
C -3.186716 1.070861 1.227154
C -3.787109 -0.491396 -0.555636
C -4.479710 0.965680 1.739281
C -5.078578 -0.575051 -0.029223
C -5.430159 0.152344 1.111301
H 3.104779 1.194501 -1.435822
H 4.004138 0.722720 0.023195
H 1.439089 2.485040 0.011991
H 1.349287 -1.470708 1.342255
H 2.640195 -0.419091 1.857857
H 3.439925 1.838740 2.278827
H 2.210995 3.098627 2.355957
H 1.707506 1.421089 2.207377
H 4.416271 3.304596 0.233650
H 3.034670 4.388988 0.379350
H 3.367542 3.594353 -1.160169
H 1.856993 -0.930860 -2.910924
H 1.047848 0.418719 -3.734747
H 0.291925 -1.193663 -3.693657
H -1.723350 0.361113 -3.805754
H -1.425987 1.896349 -2.917198
H -2.933591 0.985561 -2.652752
H -2.438239 1.689568 1.727408
H -3.513445 -1.086235 -1.425693
H 3.944837 -3.867900 2.060008
H -4.748273 1.521980 2.637424
H -5.812944 -1.220609 -0.510167
H -6.437551 0.080868 1.515430


%chk=000208830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208830

0 1
S 3.528384 -3.173439 -0.167815
O -0.713143 0.585969 1.966502
O 4.863304 -2.501395 0.977692
O 3.700939 -2.238788 -1.490565
O 2.093825 -2.685698 0.789322
N 1.837876 -0.190382 0.475802
N -1.222104 0.108420 -1.531320
N -1.691348 0.478544 -0.228742
C 2.986790 0.639981 0.039760
C 0.555293 0.015714 -0.094332
C 2.773028 2.158891 0.269186
C 0.160830 -0.140682 -1.417269
C 2.001159 -1.229924 1.407578
C -0.608355 0.402802 0.715213
C 2.528593 2.482292 1.759693
C 3.984750 2.936437 -0.295317
C 0.980674 -0.513388 -2.618027
C -3.084563 0.435504 0.081961
C -1.762951 0.890769 -2.669091
C -3.571938 1.226730 1.153741
C -3.968281 -0.401463 -0.648409
C -4.943163 1.179042 1.480961
C -5.340684 -0.422126 -0.321000
C -5.836084 0.367202 0.742672
H 3.222001 0.449294 -1.027395
H 3.867965 0.307756 0.622685
H 1.870458 2.461138 -0.302749
H 1.104827 -1.400612 2.025432
H 2.914750 -1.115539 2.009970
H 3.414076 2.213041 2.369219
H 2.341846 3.563068 1.900299
H 1.655714 1.929699 2.150394
H 4.910544 2.676221 0.254140
H 3.833282 4.026385 -0.194117
H 4.151879 2.713979 -1.366733
H 1.896328 -1.037388 -2.295500
H 1.282955 0.371884 -3.211572
H 0.419018 -1.192052 -3.284171
H -1.379556 0.450389 -3.602405
H -1.460425 1.955065 -2.611976
H -2.861709 0.830639 -2.677010
H -2.876250 1.844589 1.725789
H -3.572306 -1.053848 -1.433734
H 5.427288 -1.906718 0.400306
H -5.315129 1.785187 2.314220
H -6.019084 -1.070343 -0.886831
H -6.900802 0.343255 0.998242


