%chk=000286036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286036

0 1
S -0.003201 2.911566 -0.592588
S 4.687273 -2.889157 -2.885060
S -4.671919 -2.916978 -2.861379
O 7.179544 -1.673885 1.542784
O -7.167692 -1.693505 1.561271
O -0.003778 4.015113 0.355227
O -0.005465 3.161789 -2.020886
N 4.715856 -0.569251 0.674302
N -4.708150 -0.583380 0.688072
N 3.409222 -0.668023 -1.869177
N -3.399832 -0.688424 -1.854288
C 4.932776 -0.897898 2.119983
C 6.007927 -0.163199 0.022663
C -4.923765 -0.906911 2.135097
C -6.001749 -0.184727 0.034897
C 3.623338 0.319424 0.400254
C -3.619126 0.308545 0.410507
C 5.947463 -2.054582 2.184603
C 6.990699 -1.338759 0.152879
C -5.934167 -2.067056 2.204513
C -6.980195 -1.363340 0.169998
C 1.369021 1.903118 -0.219862
C -1.371282 1.898868 -0.216001
C 2.981553 0.221638 -0.874289
C -2.976496 0.207673 -0.863347
C 3.091262 1.219242 1.341649
C -3.091187 1.214807 1.348013
C 1.872200 1.030209 -1.181045
C -1.870410 1.019498 -1.173379
C 1.979169 2.002151 1.032831
C -1.982271 2.000968 1.036047
C 3.998731 -1.665872 -2.185979
C -3.987151 -1.688777 -2.167217
H 3.966392 -1.215012 2.567463
H 5.313368 -0.032912 2.705968
H 6.438374 0.746209 0.498296
H 5.836706 0.079793 -1.046640
H -5.307510 -0.040956 2.717581
H -3.956170 -1.218593 2.583764
H -5.831438 0.054493 -1.035400
H -6.435510 0.725038 0.506817
H 6.270174 -2.265557 3.219504
H 5.555611 -2.971334 1.707951
H 6.641629 -2.233367 -0.395133
H 8.011283 -1.065210 -0.169489
H -5.538981 -2.984287 1.731550
H -6.256023 -2.275009 3.240292
H -8.001801 -1.094844 -0.153374
H -6.627899 -2.258887 -0.374404
H 3.562720 1.328177 2.318605
H -3.563449 1.326130 2.324317
H 1.418711 0.968240 -2.179553
H -1.416338 0.954791 -2.171401
H 1.597915 2.716543 1.773878
H -1.604162 2.720265 1.774014


%chk=000286036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286036

0 1
S -0.003103 2.853496 -0.557155
S 4.760884 -2.604637 -3.517426
S -4.766214 -2.613878 -3.506789
O 7.424123 -1.825122 1.479081
O -7.410406 -1.848806 1.496377
O -0.004083 4.115098 0.488818
O -0.005803 3.014421 -2.187765
N 5.002910 -0.398562 0.787767
N -4.994120 -0.416585 0.799638
N 3.694692 -0.647751 -1.760822
N -3.694680 -0.656563 -1.753926
C 5.349330 -0.652063 2.206215
C 6.222545 -0.313904 -0.067757
C -5.335003 -0.673920 2.218746
C -6.216951 -0.332012 -0.051313
C 3.851918 0.348770 0.478645
C -3.846216 0.334628 0.488220
C 6.209810 -1.928452 2.298806
C 7.054920 -1.598413 0.070369
C -6.192937 -1.952019 2.311424
C -7.046668 -1.618219 0.086867
C 1.511400 1.810107 -0.126709
C -1.512418 1.804168 -0.122754
C 3.220794 0.239739 -0.820600
C -3.219621 0.230139 -0.813555
C 3.234344 1.198249 1.444767
C -3.227524 1.183696 1.453942
C 2.062757 0.999870 -1.123737
C -2.064969 0.994299 -1.119418
C 2.069361 1.932307 1.155925
C -2.065879 1.921937 1.162249
C 4.146080 -1.485288 -2.504804
C -4.146700 -1.493982 -2.497667
H 4.424120 -0.803115 2.790077
H 5.910647 0.204083 2.644920
H 6.836181 0.552235 0.266201
H 5.951171 -0.146529 -1.119919
H -5.896329 0.180194 2.661407
H -4.407404 -0.824608 2.798910
H -5.949535 -0.161944 -1.104073
H -6.830808 0.532417 0.286663
H 6.560569 -2.085257 3.332111
H 5.606674 -2.802970 1.972612
H 6.481959 -2.466603 -0.318057
H 8.008424 -1.510250 -0.474394
H -5.589516 -2.824732 1.980956
H -6.539633 -2.111874 3.345632
H -8.002258 -1.530461 -0.454293
H -6.473571 -2.484529 -0.305542
H 3.703602 1.318027 2.425167
H -3.693398 1.299834 2.436396
H 1.613443 0.947228 -2.120516
H -1.619183 0.945252 -2.117966
H 1.633285 2.624025 1.883785
H -1.629213 2.613429 1.889965


