%chk=000150471.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150471

0 1
 S   0.8155000      -2.779100      0.3181000    
 O    2.156800      -3.216500     -2.1400001E-02
 O   0.5147000      -2.289900       1.648900    
 N   0.2971000      -1.668400     -0.8839000    
 N  -0.5125000       2.285300      0.3132000    
 C   2.0199999E-02 -0.3161000     -0.4757000    
 C   -1.302900      9.0200000E-02 -0.2749000    
 C    1.076700      0.5795000     -0.2816000    
 C   -1.526400       1.418600      0.1249000    
 C   0.7601000       1.888700      0.1185000    
 C   -2.383900     -0.7887000     -0.4624000    
 C    2.415700      0.1982000     -0.4759000    
 C   -2.841500       1.829200      0.3264000    
 C    1.807500       2.785200      0.3133000    
 C   -3.689200     -0.3534000     -0.2542000    
 C    3.444500       1.113600     -0.2745000    
 C   -3.918100      0.9583000      0.1410000    
 C    3.139300       2.409600      0.1209000    
 C  -0.2736000      -4.144100     -2.0800000E-02
 H   0.7906000      -1.729200      -1.784600    
 H   -2.238800      -1.817200     -0.7807000    
 H    2.697600     -0.7945000     -0.8100000    
 H   -3.046900       2.852200      0.6363000    
 H    1.594100       3.806700      0.6229000    
 H   -4.522400      -1.033500     -0.4019000    
 H    4.477600      0.8186000     -0.4311000    
 H   -4.932900       1.308400      0.3056000    
 H    3.934500       3.132300      0.2794000    
 H  -0.1451000      -4.451800      -1.060100    
 H    0.000000      -4.965900      0.6447000    
 H   -1.302200      -3.838700      0.1756000    


%chk=000150471-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150471

0 1
S 0.750351 -3.042387 0.368721
O 2.117002 -3.810805 -0.098910
O 0.603973 -2.394680 1.857127
N 0.393546 -1.618491 -1.149580
N -0.509839 2.300257 0.364376
C 0.145297 -0.333061 -0.643985
C -1.219781 0.032570 -0.374758
C 1.184465 0.635283 -0.391947
C -1.489275 1.364392 0.151048
C 0.788460 1.956410 0.086029
C -2.322683 -0.845233 -0.629446
C 2.581000 0.364482 -0.571769
C -2.846868 1.736296 0.451416
C 1.800059 2.954303 0.311756
C -3.627814 -0.450053 -0.336849
C 3.536801 1.352398 -0.332528
C -3.892043 0.846458 0.222502
C 3.144163 2.662674 0.101889
C -0.713945 -4.233163 0.107932
H 1.343287 -1.707690 -1.565266
H -2.115804 -1.812922 -1.096193
H 2.918983 -0.632827 -0.877579
H -3.011768 2.739423 0.855692
H 1.462086 3.935020 0.659361
H -4.465223 -1.124712 -0.546663
H 4.599575 1.124903 -0.467085
H -4.923265 1.135592 0.451626
H 3.910329 3.424674 0.279259
H -0.714753 -4.489225 -0.959447
H -0.508309 -5.099564 0.752225
H -1.611907 -3.682722 0.417046


