%chk=000123672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123672

0 1
 S    1.421200       3.148100      2.2900000E-02
 O    2.058700     -0.1951000       1.682000    
 O    5.154400       1.793900     -0.3447000    
 O   -1.588500     -0.3469000      -1.370800    
 O    6.685600      0.7208000      0.9188000    
 O   -6.847100       1.572600     -5.3500000E-02
 O   -7.089200     -0.1200000      -1.549700    
 N    3.370500     -0.1053000     -0.2295000    
 N  -0.2066000      0.3711000      0.3501000    
 N   -6.492700      -2.004400      0.3314000    
 C    5.169300      -1.769900     -0.1834000    
 C    4.621300     -0.4517000      0.4041000    
 C    1.011000      0.4011000     -0.4244000    
 C   -3.890800     -0.3668000      0.2301000    
 C   -5.008700     -0.2581000       1.275700    
 C   -2.543000      4.6999998E-02  0.8196000    
 C    2.178100     -4.9000001E-03  0.4733000    
 C    4.184700      -2.937600     -6.7400001E-02
 C    5.631600      -1.609300      -1.634300    
 C   -6.409100     -0.6061000      0.7500000    
 C   -1.421600     -7.4999998E-03 -0.2023000    
 C    1.223200       1.745800      -1.124500    
 C    5.600200      0.7178000      0.3491000    
 C   -6.812600      0.2652000     -0.4226000    
 H    6.060400      -2.038100      0.4009000    
 H    4.426000     -0.6078000       1.472700    
 H   0.9312000     -0.3730000      -1.199400    
 H   -4.116800      0.2724000     -0.6316000    
 H   -3.824000      -1.394600     -0.1460000    
 H    3.382100      8.8799998E-02  -1.225800    
 H   -4.770500     -0.9098000       2.126500    
 H   -5.021600      0.7659000       1.670900    
 H   -2.280400     -0.6138000       1.654300    
 H   -2.601300       1.072000       1.205200    
 H    3.850700      -3.061000      0.9681000    
 H    4.660300      -3.874000     -0.3783000    
 H    3.301300      -2.788900     -0.6971000    
 H    6.393200     -0.8292000      -1.729700    
 H    6.075400      -2.542200      -1.999200    
 H    4.799500      -1.358000      -2.300000    
 H  -0.1699000      0.6585000       1.324100    
 H   -7.145700     -0.4502000       1.547200    
 H    2.105100       1.724500      -1.771500    
 H   0.3633000       1.971500      -1.764800    
 H   -6.236100      -2.610300       1.109800    
 H   -7.457800      -2.235100      9.7599998E-02
 H    1.558400       4.094600     -0.9171000    
 H    5.802800       2.529900     -0.3359000    
 H   -7.111900       2.155200     -0.7969000    


%chk=000123672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123672

0 1
S 1.649052 3.219321 1.046351
O 2.075665 -0.365212 1.542144
O 5.451437 1.350438 -1.167679
O -1.639474 1.290686 -1.178013
O 6.894034 0.373462 0.370174
O -6.984792 0.912096 -0.656723
O -6.747956 -1.105505 -1.777405
N 3.333265 0.000755 -0.386076
N -0.186551 0.588668 0.481377
N -5.857603 -2.396776 0.490265
C 4.959572 -1.961217 -0.250644
C 4.593609 -0.492990 0.183426
C 1.002461 0.815533 -0.334714
C -3.802937 -0.095180 0.308439
C -5.042241 -0.124773 1.222448
C -2.601758 0.603547 0.984991
C 2.182335 0.095752 0.362941
C 3.910913 -2.956266 0.291002
C 5.119110 -2.090965 -1.782713
C -6.212053 -0.984179 0.641085
C -1.453859 0.851807 0.004489
C 1.287971 2.320396 -0.589788
C 5.761580 0.432768 -0.147625
C -6.660183 -0.445518 -0.717634
H 5.936151 -2.172526 0.229190
H 4.471605 -0.495097 1.283576
H 0.834122 0.369744 -1.337445
H -4.026331 0.443277 -0.631999
H -3.536493 -1.133953 0.037207
H 3.384721 0.465920 -1.294765
H -4.779187 -0.568110 2.203424
H -5.411157 0.902789 1.406926
H -2.253693 0.020317 1.859476
H -2.925095 1.593980 1.366289
H 3.803600 -2.879377 1.387059
H 4.205258 -3.991510 0.039618
H 2.918072 -2.766964 -0.155363
H 5.892028 -1.410171 -2.184809
H 5.414069 -3.122461 -2.045472
H 4.164382 -1.877472 -2.299163
H -0.012291 0.226236 1.425649
H -7.084402 -0.835361 1.319597
H 2.156896 2.441208 -1.259759
H 0.391715 2.759098 -1.053909
H -6.070375 -3.001414 1.282072
H -6.053655 -2.795049 -0.431115
H 1.532419 4.493871 0.516437
H 6.246256 1.918078 -1.357369
H -7.256613 1.225399 -1.561471


