%chk=000187569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187569

0 1
S 2.769798 -0.637168 -2.275525
O -1.314097 -1.889117 -1.165784
O 2.306317 -1.195369 0.529070
O -1.252479 -1.242566 4.201638
O -3.177826 -0.611338 -0.955209
O -3.093254 2.621916 3.023853
N -0.557621 0.425637 0.516510
N -1.613917 0.413191 2.697565
N -1.866421 2.268097 1.114211
C -0.073949 -0.944431 0.750270
C 0.221782 -1.219180 2.254322
C -1.156903 -1.969400 0.286173
C 0.606600 -2.678994 2.537821
C -0.001837 -3.705911 1.623349
C -0.769070 -3.380040 0.573421
C 1.263985 -1.039542 -0.054384
C -0.924933 -0.758062 3.144543
C -1.322356 0.986885 1.430813
C 0.332918 -5.122682 1.957613
C 1.149834 -0.908267 -1.541051
C -2.362149 -1.139188 -1.670693
C -2.757693 3.021993 1.928056
C -2.272984 -1.147742 -3.155917
C 3.067518 1.094103 -2.159958
C -3.203704 4.306504 1.306143
C 4.107522 1.566941 -2.970768
C 2.365112 1.950656 -1.312794
C 4.444126 2.921855 -2.924781
C 2.709853 3.307340 -1.278376
C 3.745510 3.793935 -2.080771
H 1.114163 -0.584094 2.540803
H -2.145147 -1.719496 0.752909
H 1.718504 -2.761914 2.460113
H 0.360770 -2.924660 3.597821
H -1.178067 -4.117511 -0.114650
H -2.336194 0.838326 3.316780
H 1.420192 -5.284774 1.994278
H -0.071642 -5.405722 2.941121
H -0.071333 -5.838631 1.228806
H 0.732404 -1.851978 -1.973349
H 0.415362 -0.123264 -1.825178
H -1.630564 2.604552 0.168980
H -1.577409 -1.913623 -3.535380
H -1.924427 -0.172350 -3.532181
H -3.261133 -1.335454 -3.606089
H -2.367891 4.972934 1.047861
H -3.848710 4.862741 2.011185
H -3.800508 4.146507 0.394610
H 4.654093 0.893358 -3.631215
H 1.561968 1.585960 -0.671006
H 5.253045 3.300025 -3.548006
H 2.171483 3.982804 -0.616364
H 4.012358 4.848013 -2.048110


%chk=000187569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187569

0 1
S 2.719696 -0.559012 -2.668848
O -1.491616 -1.974727 -1.180401
O 2.361039 -1.411773 0.299471
O -1.051622 -1.077622 4.185416
O -3.348004 -0.596506 -0.792484
O -3.005510 2.665278 2.912984
N -0.519716 0.415535 0.318268
N -1.496453 0.477608 2.527386
N -1.833790 2.234601 0.934991
C -0.030714 -0.959692 0.620861
C 0.328523 -1.161088 2.128861
C -1.161837 -1.992485 0.277416
C 0.728328 -2.611101 2.500217
C 0.079012 -3.694094 1.657346
C -0.771155 -3.402613 0.636489
C 1.268398 -1.136799 -0.244150
C -0.796594 -0.630396 3.038397
C -1.241298 0.987746 1.250227
C 0.437628 -5.117787 2.025332
C 1.125287 -0.898825 -1.748829
C -2.615429 -1.229391 -1.583096
C -2.684311 3.007068 1.732111
C -2.788479 -1.331095 -3.081907
C 3.105825 1.171925 -2.185343
C -3.220578 4.268042 1.079109
C 4.270715 1.731609 -2.770353
C 2.325084 1.941802 -1.291127
C 4.649143 3.055164 -2.460922
C 2.716246 3.266972 -0.987239
C 3.874281 3.831924 -1.566713
H 1.206441 -0.509903 2.328389
H -2.083468 -1.664322 0.801245
H 1.825562 -2.714147 2.418011
H 0.466728 -2.771024 3.565241
H -1.245195 -4.196363 0.047198
H -2.164123 1.004235 3.124217
H 1.531954 -5.275629 1.960793
H 0.145981 -5.340187 3.070199
H -0.055373 -5.852010 1.365933
H 0.731048 -1.822706 -2.208124
H 0.390875 -0.100478 -1.935278
H -1.651992 2.522906 -0.029833
H -2.849613 -2.389104 -3.388855
H -1.914614 -0.891798 -3.595162
H -3.701037 -0.799813 -3.387626
H -2.664313 4.565424 0.174461
H -3.190141 5.090146 1.811913
H -4.279552 4.109967 0.806209
H 4.879471 1.135589 -3.459990
H 1.423075 1.532277 -0.822932
H 5.552029 3.476198 -2.917307
H 2.112748 3.854818 -0.285416
H 4.172410 4.857460 -1.323656


