%chk=000132293.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132293

0 1
 S    1.860400       2.263200      0.7324000    
 O    3.473900      -2.017600      0.3346000    
 O   3.7400000E-02  -1.430100     -0.7230000    
 O    1.041600      -4.091200      -1.188500    
 O    2.701700       3.100200     -0.1017000    
 O    1.626000       2.616400       2.119500    
 O  -0.6216000      -5.335900      0.6071000    
 O    4.733200       1.100100     -0.4904000    
 N    2.412700      0.6582000      0.6607000    
 N   -4.377400      0.6957000     -0.1698000    
 N   -4.483900     -0.3220000     -0.8852000    
 N   -4.591400      -1.249200      -1.542100    
 C    2.428900      -1.528800     -0.5184000    
 C    1.085000      -2.008500      6.8000004E-02
 C    2.575800     -8.2999999E-03 -0.6520000    
 C   0.8894000      -3.533000      0.1178000    
 C   0.2765000       2.138400     -4.2500000E-02
 C  -0.5026000      -3.916500      0.6189000    
 C    3.944400      0.4195000      -1.138600    
 C  -0.8046000       1.485900      0.5594000    
 C   -2.040200       1.431500     -0.1285000    
 C   0.1597000       2.729900      -1.295500    
 C  -0.6958000      0.8860000       1.824600    
 C   -2.149100       2.031700      -1.393500    
 C   -1.055400       2.676400      -1.972000    
 C   -3.130600      0.7785000      0.4691000    
 C   -1.789600      0.2416000       2.403200    
 C   -3.004700      0.1879000       1.726700    
 H    2.586500      -1.966100      -1.512200    
 H   0.9713000      -1.627900       1.089300    
 H    1.847200      0.3670000      -1.375100    
 H    1.651700      -3.995900      0.7541000    
 H    2.488500      8.5900001E-02   1.509500    
 H   -1.287800      -3.532100     -3.9200000E-02
 H  -0.6828000      -3.552800       1.635100    
 H    4.207700      7.5800002E-02  -2.154100    
 H    3.531700      -2.979500      0.2081000    
 H   0.1151000      -1.792800      -1.622100    
 H   0.9868000       3.236800      -1.782200    
 H   0.9163000      -5.052600      -1.112100    
 H   0.2207000      0.8427000       2.398500    
 H   -3.081100       2.016100      -1.953600    
 H   -1.152900       3.136300      -2.951100    
 H   -1.690200     -0.2280000       3.377500    
 H   -3.848600     -0.3188000       2.188200    
 H   5.3399999E-02  -5.690500       1.210600    


%chk=000132293-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132293

0 1
S 1.720140 1.999666 0.483744
O 3.726644 -2.571210 -0.244402
O 1.664765 -2.927563 -2.447171
O 1.320293 -3.394523 0.375760
O 2.498239 2.748487 -0.744458
O 1.667230 2.632164 1.980951
O -1.401187 -3.073719 0.504459
O 5.079690 0.202361 1.339063
N 2.426917 0.249465 0.691811
N -4.581020 -0.058131 0.141972
N -5.553855 -0.630521 0.717204
N -6.567040 -1.130459 1.072897
C 3.125707 -1.509868 -1.057351
C 1.661705 -1.837085 -1.461833
C 3.372684 -0.117452 -0.389428
C 0.742692 -2.187718 -0.271505
C -0.033002 1.652447 -0.163110
C -0.699742 -2.522946 -0.678542
C 4.812862 -0.141234 0.165965
C -1.015869 1.020112 0.665066
C -2.311896 0.797967 0.046014
C -0.262078 2.073364 -1.467062
C -0.792147 0.599171 2.017927
C -2.552435 1.229932 -1.297851
C -1.552983 1.859743 -2.040344
C -3.332886 0.125005 0.814741
C -1.808322 -0.052700 2.721711
C -3.079801 -0.305204 2.128079
H 3.706296 -1.502772 -2.001073
H 1.230200 -0.976098 -2.004560
H 3.345631 0.665620 -1.183431
H 0.766321 -1.353017 0.453594
H 2.962845 0.339243 1.591300
H -0.709696 -3.329690 -1.427129
H -1.222143 -1.636653 -1.085644
H 5.595406 -0.488801 -0.543397
H 3.003895 -3.010645 0.302948
H 2.051602 -3.723280 -1.994740
H 0.539568 2.565546 -2.028108
H 0.590491 -3.807162 0.912698
H 0.162659 0.815781 2.503311
H -3.542044 1.053038 -1.728485
H -1.747613 2.191263 -3.064518
H -1.634275 -0.367916 3.755419
H -3.860589 -0.810652 2.707298
H -1.680658 -2.329758 1.099710


