%chk=000154955.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154955

0 1
 S   -5.821700      0.1083000      0.8165000    
 O   -1.684000      0.8146000      -2.789600    
 O   -7.147300      0.6070000       1.132200    
 O   -5.594700     -0.6735000     -0.3828000    
 N   0.5119000      0.6397000      -1.038500    
 N    4.205700      0.2939000      0.9123000    
 N   -4.708800       1.418900      0.9170000    
 C    2.224800     -0.7383000      1.8100001E-02
 C    1.175300      -4.383500     -6.9399998E-02
 C    1.966600      -3.146000      0.1849000    
 C    1.764300      0.5219000     -0.3768000    
 C    3.468300     -0.8068000      0.6688000    
 C    1.480400      -1.906700     -0.2206000    
 C    2.525700       1.667900     -0.1264000    
 C    3.195000      -3.221700      0.8289000    
 C    3.757400       1.505300      0.5299000    
 C    3.932200      -2.058600       1.064400    
 C   0.9646000      -4.650100      -1.572200    
 C  -0.1848000      -4.372900      0.6542000    
 C  -0.7915000      0.8331000     -0.5625000    
 C    2.087400       2.946700     -0.5121000    
 C    4.520100       2.642700      0.7819000    
 C   -1.876400      0.9179000      -1.444000    
 C   -1.019200      0.9442000      0.8147000    
 C    2.868700       4.067700     -0.2484000    
 C    4.087600       3.915000      0.4000000    
 C   -3.386200       1.220500      0.4176000    
 C   -3.168600       1.110800     -0.9558000    
 C   -2.311400       1.137200       1.302800    
 C   -5.290400     -0.8623000       2.209400    
 C   -1.751100     -0.4929000      -3.354600    
 H    1.730100      -5.246200      0.3244000    
 H   0.5201000      -1.860400     -0.7274000    
 H    3.598500      -4.176200       1.156300    
 H    4.892000      -2.143900       1.570800    
 H   0.5965000      0.6032000      -2.049900    
 H   0.4654000      -5.613000      -1.724700    
 H   0.3480000      -3.876900      -2.043200    
 H    1.924400      -4.681400      -2.100000    
 H  -5.2299999E-02  -4.205800       1.728900    
 H  -0.8464000      -3.587800      0.2721000    
 H  -0.6965000      -5.332700      0.5236000    
 H    1.141800       3.101500      -1.025300    
 H    5.478900       2.549100       1.288600    
 H  -0.2026000      0.8827000       1.529400    
 H    2.528600       5.054100     -0.5482000    
 H    4.705200       4.783200      0.6104000    
 H   -3.999100       1.188400      -1.653500    
 H   -2.469500       1.219900       2.375000    
 H   -4.747300       1.957900       1.792600    
 H   -5.338900     -0.2483000       3.110700    
 H   -5.970700      -1.711700       2.305200    
 H   -4.276300      -1.224000       2.032400    
 H   -2.752700     -0.9144000      -3.222500    
 H   -1.004800      -1.153000      -2.901500    
 H   -1.543500     -0.4143000      -4.425200    


%chk=000154955-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154955

0 1
S -5.659582 -1.129046 0.301997
O -1.480201 1.417088 -2.542601
O -7.214604 -1.151789 0.797630
O -5.289802 -1.114715 -1.294445
N 0.582770 0.995397 -0.971525
N 4.500223 0.277499 0.672078
N -4.656211 0.643803 1.104435
C 2.186390 -0.528743 0.180209
C 0.697471 -4.066735 0.786143
C 1.656288 -2.871915 0.780611
C 1.856796 0.738982 -0.398795
C 3.529483 -0.687785 0.734380
C 1.297693 -1.656343 0.193106
C 2.856300 1.760520 -0.469093
C 2.961363 -2.992767 1.381370
C 4.182280 1.464820 0.065859
C 3.870662 -1.941951 1.350756
C 0.374350 -4.546393 -0.654783
C -0.606302 -3.747945 1.567063
C -0.672239 0.865121 -0.375374
C 2.609520 3.068585 -1.015473
C 5.208480 2.469950 -0.021593
C -1.817164 1.101816 -1.215593
C -0.888637 0.559899 0.997850
C 3.627037 4.018176 -1.077881
C 4.942807 3.712922 -0.587477
C -3.328251 0.689450 0.667823
C -3.114828 1.029877 -0.709026
C -2.191241 0.436651 1.502196
C -4.836059 -2.746464 0.991172
C -2.587218 1.623254 -3.487840
H 1.205735 -4.901087 1.310149
H 0.316616 -1.556167 -0.280868
H 3.239156 -3.943571 1.852391
H 4.875341 -2.029425 1.775257
H 0.554424 1.407059 -1.910751
H -0.273004 -5.442414 -0.629530
H -0.156082 -3.761385 -1.224999
H 1.296215 -4.800725 -1.207792
H -0.386151 -3.451286 2.608546
H -1.156347 -2.915916 1.087819
H -1.270081 -4.632533 1.589808
H 1.603053 3.329481 -1.360532
H 6.193039 2.211008 0.379447
H -0.028055 0.411461 1.655333
H 3.422755 5.011892 -1.491138
H 5.730759 4.471391 -0.648419
H -3.994703 1.209895 -1.329478
H -2.342880 0.180075 2.558020
H -4.732432 0.453797 2.127485
H -5.101623 -2.806187 2.055634
H -5.279731 -3.562643 0.403829
H -3.754719 -2.651766 0.819162
H -3.186165 2.508448 -3.203103
H -3.236030 0.729238 -3.527481
H -2.107867 1.790138 -4.463068


