%chk=000109842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109842

0 1
 S    9.036300       1.324500      -1.017700    
 O   6.8000001E-03   1.387200      -1.299200    
 O    9.094500      0.4702000      -2.410500    
 O   -5.473100      -3.791200      -1.141200    
 O    8.300800       2.548400      -1.300900    
 O    10.38050       1.378200     -0.4645000    
 O   -3.215400      -3.639100      -1.125400    
 N   -5.512600      4.8900001E-02 -6.3600004E-02
 N   -5.727000      -1.229200     -0.4195000    
 N   -2.120100     -0.9135000     -0.3752000    
 N   -1.563000     -0.1475000      0.4450000    
 N   -10.28150      0.8027000      0.2048000    
 N    3.979100     -0.8299000      0.2263000    
 N    4.537800     -6.7199998E-02   1.049400    
 C   -6.585000      0.9014000      0.1891000    
 C   -4.193100      0.3854000      1.4400000E-02
 C   -3.514500     -0.7495000     -0.3124000    
 C   -7.885100      0.4241000      7.1099997E-02
 C   -4.491300      -1.713200     -0.5705000    
 C   -6.342800       2.219900      0.5562000    
 C   -8.958800       1.277900      0.3236000    
 C   -7.416800       3.073700      0.8084000    
 C   -8.724700       2.602800      0.6921000    
 C  -0.1738000     -0.3107000      0.3829000    
 C    8.075100      0.3578000      7.3200002E-02
 C   0.5932000      0.4608000     -0.4902000    
 C    2.592500     -0.6567000      0.2784000    
 C    5.931300     -0.2418000      0.9969000    
 C    6.691900      0.5311000      0.1248000    
 C    1.976300      0.2879000     -0.5425000    
 C   0.4425000      -1.255600       1.203600    
 C    1.825700      -1.428800       1.151200    
 C    8.690700     -0.5875000      0.8936000    
 C   -4.311500      -3.084700     -0.9568000    
 C    6.540000      -1.186000       1.818100    
 C    7.923200      -1.359400       1.766100    
 C  -0.1284000       2.708400     -0.7795000    
 H   -3.823700       1.365800      0.2794000    
 H   -8.098200     -0.6033000     -0.2148000    
 H   -5.352100       2.646200      0.6641000    
 H   -7.235600       4.105500       1.095600    
 H   -9.552900       3.278200      0.8911000    
 H    6.198100       1.259600     -0.5131000    
 H    2.571900      0.8897000      -1.225000    
 H  -0.1460000      -1.861600       1.887800    
 H    9.765000     -0.7458000      0.8655000    
 H    2.296600      -2.167900       1.794200    
 H    5.949600      -1.791300       2.500800    
 H    8.402300      -2.096500       2.403900    
 H   -11.05990       1.421200      0.3903000    
 H   -10.45290     -0.1582000     -5.9799999E-02
 H   0.8549000       3.136900     -0.5610000    
 H  -0.7469000       2.707300      0.1236000    
 H  -0.6184000       3.325800      -1.537300    
 H    8.224100      0.3119000      -2.846000    
 H   -5.293900      -4.719400      -1.403500    


%chk=000109842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109842

0 1
S 9.413160 1.389530 -0.160146
O 0.380141 2.704828 -0.321197
O 9.530972 1.151015 -2.001455
O -5.341693 -3.861231 0.826612
O 8.571796 2.739210 0.133617
O 10.886063 1.186186 0.479239
O -3.032744 -3.610605 0.794927
N -5.636681 0.153280 0.148362
N -5.755563 -1.218711 0.383136
N -2.130659 -0.735996 0.293782
N -1.469415 0.389475 0.096994
N -10.513516 0.420223 0.101399
N 4.201164 -0.008203 0.161890
N 4.754712 -1.173131 0.385840
C -6.831087 0.946283 0.014444
C -4.322056 0.562317 0.075994
C -3.522716 -0.587229 0.270953
C -8.077649 0.298474 0.123749
C -4.467750 -1.667989 0.457572
C -6.735693 2.339475 -0.221297
C -9.277274 1.051248 -0.004661
C -7.933411 3.075837 -0.346695
C -9.192263 2.455997 -0.242678
C -0.059460 0.235245 0.123355
C 8.353424 -0.138974 0.145528
C 0.768889 1.392988 -0.085630
C 2.774815 -0.014806 0.165420
C 6.187817 -1.149955 0.374887
C 6.968920 0.014158 0.118354
C 2.179749 1.242302 -0.061123
C 0.574987 -1.035517 0.351650
C 1.957363 -1.174213 0.375674
C 9.029286 -1.345944 0.406788
C -4.171338 -3.096056 0.701866
C 6.826489 -2.390173 0.637076
C 8.234179 -2.487396 0.657184
C -1.021761 3.143977 -0.392457
H -4.019411 1.588044 -0.100751
H -8.097902 -0.779357 0.306643
H -5.771815 2.847257 -0.306743
H -7.880712 4.154621 -0.529198
H -10.108575 3.049012 -0.343640
H 6.478597 0.973335 -0.075904
H 2.810501 2.120872 -0.220140
H -0.090508 -1.890769 0.505906
H 10.122780 -1.382155 0.425936
H 2.438210 -2.139997 0.549657
H 6.193864 -3.262694 0.827682
H 8.715809 -3.447588 0.864859
H -11.377084 0.946883 0.010261
H -10.575285 -0.579391 0.271517
H -1.546744 2.943931 0.556807
H -1.554975 2.630147 -1.209934
H -0.948054 4.225829 -0.584688
H 10.061864 1.915480 -2.371384
H -5.070056 -4.805477 0.989562


