%chk=000148947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148947

0 1
 S   -5.599000     -0.3825000      -1.031400    
 O   -6.827800      6.3500002E-02  -1.661300    
 O   -4.708300      -1.296500      -1.718600    
 N   0.5737000      0.3166000       1.252100    
 N    4.094900     -0.5129000     -0.8649000    
 N   -4.744200       1.001400     -0.4653000    
 N   -1.482200      0.8739000       3.141600    
 C    1.768100      3.5500001E-02  0.5348000    
 C    2.152300      -1.292200      0.3217000    
 C    2.548400       1.088900      4.7300000E-02
 C    3.339600      -1.523600     -0.3933000    
 C    3.720300      0.7642000     -0.6568000    
 C  -0.7545000      0.4896000      0.8411000    
 C   -1.772900      0.7642000       1.763400    
 C    1.387100      -2.370100      0.8001000    
 C    2.186400       2.432500      0.2468000    
 C   -3.397500      0.8285000     -2.3800001E-02
 C   -1.074400      0.3867000     -0.5186000    
 C    3.727300      -2.843400     -0.6089000    
 C    4.501400       1.808500      -1.144700    
 C   -3.089000      0.9329000       1.332500    
 C   -2.390200      0.5553000     -0.9493000    
 C    1.796800      -3.680300      0.5711000    
 C    2.984600       3.457900     -0.2512000    
 C    2.969400      -3.917100     -0.1348000    
 C    4.144400       3.144900     -0.9483000    
 C   -6.054500      -1.126500      0.5189000    
 H   0.7447000      0.4041000       2.246900    
 H   0.4676000      -2.220600       1.359900    
 H    1.288600       2.712500      0.7917000    
 H  -0.3122000      0.1776000      -1.264800    
 H    4.642200      -3.055000      -1.159300    
 H    5.415000       1.589100      -1.694200    
 H   -3.876700       1.144700       2.052500    
 H   -2.612700      0.4838000      -2.010800    
 H    1.204900      -4.511100      0.9426000    
 H    2.703500       4.494800     -9.4800003E-02
 H    3.298200      -4.935600     -0.3187000    
 H    4.774700       3.937500      -1.340900    
 H   -5.294800       1.646100      0.1177000    
 H  -0.5452000      0.7587000       3.497300    
 H   -2.231900       1.072200       3.791800    
 H   -6.626700     -0.4053000       1.105600    
 H   -6.674100      -1.999800      0.3025000    
 H   -5.153200      -1.439300       1.048400    


%chk=000148947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148947

0 1
S -5.867644 0.571659 -1.183530
O -7.390209 1.017004 -0.811282
O -5.359885 0.479900 -2.721050
N 0.387336 -0.163544 1.337409
N 4.140691 -0.616399 -0.723578
N -4.668078 1.886946 -0.230790
N -1.430394 0.533630 3.273912
C 1.588900 -0.293567 0.606244
C 2.265783 -1.559655 0.619166
C 2.195763 0.814505 -0.073798
C 3.563019 -1.654733 -0.041625
C 3.470017 0.579643 -0.749946
C -0.842917 0.396003 0.905319
C -1.799000 0.720856 1.927430
C 1.722135 -2.742856 1.232377
C 1.656116 2.148177 -0.078436
C -3.415517 1.366781 0.178695
C -1.179818 0.593043 -0.458168
C 4.276655 -2.904052 0.000357
C 4.093440 1.667021 -1.458698
C -3.088283 1.156782 1.550514
C -2.440970 1.089991 -0.825282
C 2.438220 -3.938556 1.246207
C 2.299354 3.179404 -0.758745
C 3.735826 -4.017009 0.636280
C 3.522233 2.934829 -1.471277
C -5.535281 -1.165269 -0.403845
H 0.290382 -0.793569 2.141752
H 0.713910 -2.727580 1.663753
H 0.727086 2.357720 0.457715
H -0.444678 0.349218 -1.231011
H 5.251882 -2.933017 -0.494972
H 5.035949 1.447022 -1.969064
H -3.829350 1.387663 2.327605
H -2.695014 1.269031 -1.873798
H 2.003450 -4.831139 1.709024
H 1.871242 4.187570 -0.749254
H 4.287719 -4.962897 0.659355
H 4.007296 3.754636 -2.012174
H -5.285915 2.168473 0.556339
H -0.461613 0.719428 3.537431
H -2.127855 0.707247 3.995670
H -5.866809 -1.112376 0.641831
H -6.143935 -1.855882 -1.004022
H -4.459140 -1.357781 -0.506436


