%chk=000130146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130146

0 1
 S  -0.1032000       3.890500      0.5488000    
 O   0.6205000       4.419500     -0.8173000    
 O  -0.4457000       5.066500       1.333100    
 O   0.7146000       2.830400       1.114400    
 N    5.665500      -1.053000     -4.1600000E-02
 N   -3.187800      -4.400800      0.1639000    
 C   0.1215000      0.2289000      7.4900001E-02
 C  -0.3165000       1.247100      -1.030400    
 C    1.574100     -0.1069000      4.4599999E-02
 C  -0.7733000      -1.022900      9.9200003E-02
 C   -1.608300       1.956900     -0.6908000    
 C   -1.595700       3.148300      1.5600000E-02
 C    2.256700     -0.3597000       1.234500    
 C   -1.590600      -1.216800       1.183700    
 C    2.250400     -0.1686000      -1.173800    
 C  -0.7121000      -1.886200     -0.9650000    
 C   -2.796700       1.379400      -1.109300    
 C    4.291600     -0.7355000     -1.2400000E-02
 C   -2.367900      -3.253400      0.1422000    
 C    3.615300     -0.6740000       1.206000    
 C   -2.401700      -2.351300       1.205500    
 C    3.609000     -0.4829000      -1.202400    
 C   -1.523100      -3.020800     -0.9431000    
 C   -2.803500       3.779600      0.3122000    
 C   -4.004600       2.010900     -0.8128000    
 C   -4.007900       3.211000     -0.1021000    
 C    6.242300      -1.910700      0.9743000    
 C    6.515700     -0.5370000      -1.096100    
 C   -4.069100      -4.651900       1.286700    
 C   -3.169900      -5.336600     -0.9428000    
 H  -5.5000000E-02  0.7148000       1.041500    
 H  -0.4562000      0.7300000      -1.990800    
 H   0.4745000       1.970200      -1.250400    
 H    1.743700     -0.3142000       2.191700    
 H   -1.626100     -0.5210000       2.015800    
 H    1.748500      8.6000003E-03  -2.120100    
 H  -7.0299998E-02  -1.718000      -1.822400    
 H   -2.811200      0.4497000      -1.670300    
 H    4.119500     -0.8537000       2.151300    
 H   -3.042000      -2.486700       2.071600    
 H    4.102100     -0.5369000      -2.168800    
 H   -1.462000      -3.690600      -1.795100    
 H   -2.841800       4.715600      0.8614000    
 H   -4.942300       1.569000      -1.136800    
 H   -4.948500       3.702900      0.1278000    
 H    6.427100      -1.349900       1.896600    
 H    7.201300      -2.325500      0.6440000    
 H    5.590700      -2.763400       1.196700    
 H    7.572300     -0.5819000     -0.8089000    
 H    6.293600      0.5141000      -1.312800    
 H    6.398400      -1.125200      -2.012300    
 H   -4.808200      -3.850500       1.396600    
 H   -3.502700      -4.759800       2.218500    
 H   -4.634400      -5.581700       1.157800    
 H   -2.175400      -5.778300      -1.071700    
 H   -3.481100      -4.853000      -1.875400    
 H   -3.861400      -6.170600     -0.7790000    
 H   0.1138000       5.091100      -1.331600    


%chk=000130146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130146

0 1
S -0.628723 4.090952 0.956245
O 0.270633 4.696146 -0.562029
O -1.330842 5.352344 1.688506
O 0.405136 3.179135 1.807877
N 5.854533 -1.194038 -0.226562
N -3.355103 -4.272304 0.123679
C 0.240984 0.316086 0.226878
C -0.199008 1.374323 -0.852341
C 1.722924 -0.045321 0.068910
C -0.675270 -0.915731 0.212450
C -1.605910 1.911029 -0.662659
C -1.945718 3.079934 0.056782
C 2.490148 -0.365430 1.217786
C -1.702507 -1.067936 1.175695
C 2.385606 -0.114293 -1.182250
C -0.560960 -1.927577 -0.774499
C -2.713918 1.230181 -1.242124
C 4.506478 -0.818955 -0.130907
C -2.478885 -3.177407 0.155485
C 3.842495 -0.743187 1.134798
C -2.585280 -2.166390 1.161359
C 3.740041 -0.488562 -1.291384
C -1.435677 -3.029925 -0.814520
C -3.246342 3.593040 0.210196
C -4.036722 1.700671 -1.107692
C -4.310842 2.885049 -0.385445
C 6.613431 -1.516552 0.985860
C 6.509003 -1.242218 -1.537107
C -4.376089 -4.423063 1.165163
C -3.187830 -5.315187 -0.892891
H 0.127992 0.812780 1.209348
H -0.155681 0.900514 -1.850362
H 0.535145 2.199030 -0.846524
H 2.015306 -0.313023 2.205602
H -1.816796 -0.308637 1.960297
H 1.850180 0.140966 -2.104886
H 0.245478 -1.870156 -1.515487
H -2.513199 0.310597 -1.801754
H 4.383504 -0.972294 2.057390
H -3.353781 -2.234709 1.936844
H 4.199458 -0.518213 -2.283767
H -1.292351 -3.787066 -1.591363
H -3.409043 4.516063 0.775772
H -4.857350 1.141952 -1.570301
H -5.335330 3.257516 -0.286994
H 6.672171 -0.653838 1.682046
H 7.642234 -1.798817 0.710368
H 6.164509 -2.367203 1.539304
H 7.558721 -1.552810 -1.412484
H 6.504858 -0.252476 -2.040161
H 6.018593 -1.968708 -2.218336
H -5.071446 -3.558871 1.186557
H -3.930206 -4.522504 2.177411
H -4.971891 -5.328366 0.966710
H -2.203285 -5.823169 -0.815133
H -3.275792 -4.904986 -1.919874
H -3.972835 -6.078225 -0.768724
H 1.101552 5.154936 -0.242157


