%chk=000208944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208944

0 1
S 5.078315 -3.256743 0.164305
O -4.945900 -0.460841 -0.444587
O 5.401339 -1.753242 -2.365203
O -8.326301 0.006068 -0.172789
O -11.424133 0.082395 0.222885
N -1.417376 0.155156 0.285255
C 1.433865 0.059137 0.832914
C 0.545498 -1.121584 1.115035
C 0.693006 1.367349 0.774455
C -0.678742 -1.145190 0.182420
C -0.537788 1.289439 -0.145960
C 2.769066 -0.035815 0.665246
C -2.686067 0.119065 -0.507701
C 3.637419 1.126220 0.355405
C 3.521475 -1.297400 0.725635
C -3.798331 -0.364692 0.437076
C 4.269124 1.212629 -0.904455
C 4.341003 -1.757815 -0.282568
C 4.037876 0.156254 -1.944255
C 4.671195 -1.179411 -1.583583
C 3.863529 2.118000 1.318990
C 3.513917 -2.176687 1.871839
C 5.110624 2.298382 -1.179827
C 4.307660 -3.276693 1.710488
C 4.702706 3.198380 1.032373
C 5.324313 3.288247 -0.215921
C -6.172767 -0.806035 0.240870
C -7.237657 -0.669322 -0.848933
C -9.382361 0.442616 -1.062329
C -10.422741 1.048043 -0.116530
H 1.083034 -2.086332 1.020414
H 0.203645 -1.061377 2.172163
H 1.341566 2.201567 0.437770
H 0.366900 1.631624 1.805292
H -0.354124 -1.377956 -0.855423
H -1.366004 -1.960345 0.497500
H -1.121052 2.232339 -0.056051
H -0.209799 1.205614 -1.204690
H -2.951612 1.130492 -0.885453
H -2.645074 -0.534773 -1.405544
H -3.591239 -1.357055 0.869494
H -4.002883 0.360329 1.242531
H 4.424920 0.475326 -2.937116
H 2.944887 0.001968 -2.092141
H 3.389334 2.039157 2.296131
H 2.941878 -1.948265 2.760605
H 5.608133 2.370119 -2.146404
H 4.475386 -4.076220 2.414325
H 4.875718 3.965767 1.784650
H 5.981639 4.127241 -0.438685
H -6.087422 -1.831763 0.634092
H -6.361416 -0.096050 1.069331
H -7.599903 -1.639768 -1.224155
H -6.864201 -0.052589 -1.688868
H -8.973918 1.184375 -1.769482
H -9.786968 -0.423716 -1.614857
H -9.944878 1.427711 0.807614
H -11.006840 1.852302 -0.601869
H -11.017776 -0.656529 0.725177


%chk=000208944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208944

0 1
S 4.863180 -3.661396 0.409975
O -5.019871 0.414166 -0.565362
O 5.594331 -2.214613 -2.147551
O -8.621351 -0.092111 -0.072005
O -10.757451 -1.875578 0.413089
N -1.354003 0.638904 0.142383
C 1.465099 0.191279 0.819342
C 0.405475 -0.869891 1.080498
C 0.877749 1.591013 0.714455
C -0.787879 -0.728242 0.100899
C -0.331401 1.633439 -0.253645
C 2.802491 -0.083061 0.627712
C -2.632751 0.766447 -0.598252
C 3.812403 0.990233 0.320050
C 3.374821 -1.456139 0.755883
C -3.817021 0.317538 0.269997
C 4.553283 0.944949 -0.895606
C 4.291182 -2.032104 -0.146474
C 4.283221 -0.162143 -1.903419
C 4.788819 -1.539279 -1.435568
C 4.081909 2.020187 1.256445
C 3.137605 -2.313143 1.897753
C 5.536947 1.930375 -1.150050
C 3.845664 -3.503625 1.865788
C 5.064144 3.000938 0.995332
C 5.795001 2.956704 -0.213361
C -6.238871 0.074347 0.172610
C -7.394826 0.211493 -0.817225
C -9.835276 -0.003580 -0.901772
C -10.977624 -0.489941 -0.009365
H 0.816236 -1.889047 0.990933
H 0.010409 -0.746837 2.109690
H 1.632452 2.324184 0.386407
H 0.512157 1.902416 1.714447
H -0.441425 -0.990989 -0.932728
H -1.570886 -1.456207 0.379284
H -0.785582 2.640563 -0.223099
H 0.034547 1.459221 -1.299023
H -2.787336 1.826585 -0.868476
H -2.639037 0.184636 -1.550405
H -3.685074 -0.728864 0.623947
H -3.903511 0.975672 1.160447
H 4.773215 0.044122 -2.868876
H 3.190588 -0.245131 -2.078150
H 3.527703 2.037948 2.201872
H 2.494210 -2.022304 2.731176
H 6.104117 1.890088 -2.087302
H 3.853623 -4.301125 2.607352
H 5.263305 3.786007 1.733004
H 6.562399 3.709836 -0.423194
H -6.187148 -0.964827 0.563657
H -6.386978 0.764745 1.030286
H -7.264213 -0.494025 -1.664534
H -7.428244 1.245402 -1.220200
H -10.001326 1.043218 -1.237762
H -9.730098 -0.660388 -1.791743
H -11.069587 0.183355 0.868768
H -11.929896 -0.487696 -0.565628
H -9.825921 -1.918621 0.754193


