%chk=000148945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148945

0 1
 S   -6.071200     -0.4621000      0.3808000    
 O   -7.409100     -3.7500001E-02  0.7489000    
 O   -5.817200      -1.054300     -0.9175000    
 N   0.2655000      0.4402000      -1.301800    
 N    3.963600     -0.1324000      0.5856000    
 N   -4.983800      0.8376000      0.6880000    
 N    4.980200      -2.683200       1.020100    
 C    1.518800      0.2461000     -0.6607000    
 C    2.000300      -1.051300     -0.4583000    
 C    2.261100       1.354000     -0.2394000    
 C    3.244800      -1.196000      0.1778000    
 C    3.495300       1.115100      0.3883000    
 C   -1.041700      0.5384000     -0.8071000    
 C    1.275600      -2.182700     -0.8715000    
 C    3.729400      -2.485300      0.3822000    
 C    1.801500       2.668900     -0.4297000    
 C    4.238800       2.214200      0.8102000    
 C    1.782200      -3.460700     -0.6552000    
 C    3.011700      -3.611900     -2.7000001E-02
 C   -2.115900      0.7349000      -1.682100    
 C   -1.285700      0.4422000      0.5677000    
 C   -3.652400      0.7371000      0.1824000    
 C    2.564000       3.750400      1.3000000E-03
 C    3.785100       3.522000      0.6225000    
 C   -3.416900      0.8340000      -1.189100    
 C   -2.586700      0.5412000       1.060900    
 C   -5.537200      -1.618800       1.622400    
 H   0.3490000      0.5164000      -2.311300    
 H   0.3131000      -2.100300      -1.369800    
 H   0.8535000       2.883300     -0.9161000    
 H    5.199000       2.061300       1.299600    
 H    1.220900      -4.332800     -0.9763000    
 H    3.404200      -4.611800      0.1400000    
 H   -1.947800      0.8152000      -2.753200    
 H  -0.4750000      0.2893000       1.275500    
 H    2.207500       4.764900     -0.1478000    
 H    4.388200       4.358900      0.9625000    
 H   -4.235200      0.9994000      -1.885000    
 H   -2.758600      0.4628000       2.131300    
 H   -5.041700       1.240900       1.632800    
 H    5.519000      -1.883300       1.324800    
 H    5.332200      -3.619700       1.167800    
 H   -5.606600      -1.145400       2.603500    
 H   -6.202700      -2.484100       1.582700    
 H   -4.514700      -1.933400       1.407500    


%chk=000148945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148945

0 1
S -6.362087 0.209430 0.549954
O -7.622790 0.857493 1.350307
O -6.522483 -0.411066 -0.944740
N 0.161918 -0.187284 -1.256502
N 4.010726 -0.227327 0.639695
N -4.937062 1.678247 0.399367
N 5.536254 -2.427577 0.723201
C 1.414805 -0.175775 -0.591962
C 2.159469 -1.400445 -0.537294
C 1.982886 1.027606 -0.059409
C 3.475173 -1.348585 0.077906
C 3.288924 0.937227 0.585555
C -1.081392 0.284925 -0.793895
C 1.671520 -2.654605 -1.039067
C 4.296642 -2.557103 0.134686
C 1.369594 2.324279 -0.176417
C 3.872900 2.119821 1.157443
C 2.483141 -3.791359 -0.967573
C 3.789864 -3.756059 -0.399626
C -2.179379 0.322593 -1.706906
C -1.294124 0.689170 0.557133
C -3.657329 1.189493 0.052399
C 1.975347 3.453450 0.369505
C 3.229940 3.350340 1.061200
C -3.440851 0.771855 -1.297127
C -2.566824 1.109905 0.971977
C -5.641305 -1.218537 1.639991
H 0.122850 -0.766268 -2.099407
H 0.655170 -2.739817 -1.436270
H 0.421395 2.424683 -0.711110
H 4.843472 2.010216 1.651144
H 2.103417 -4.746986 -1.347012
H 4.393232 -4.670139 -0.364900
H -2.025417 0.016997 -2.749063
H -0.471613 0.647431 1.276296
H 1.496091 4.432701 0.263567
H 3.685043 4.247505 1.494559
H -4.277464 0.822910 -1.999911
H -2.721811 1.399250 2.019723
H -4.978606 2.091348 1.353402
H 5.777436 -1.501176 1.081017
H 6.175753 -3.210888 0.811071
H -5.576720 -0.830049 2.665468
H -6.368231 -2.037278 1.546686
H -4.663076 -1.478853 1.213139


