%chk=000163116.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163116

0 1
 S   0.6151000      -2.210900       1.027500    
 O    2.764000     -7.1999997E-02 -0.6248000    
 O   -4.273000       2.288800     -0.9922000    
 O   -5.859100      0.8224000      -1.422000    
 N   -2.314500      -1.066800      0.6849000    
 N    4.199800       2.482000      0.6710000    
 N   -3.526600      0.9105000       1.356500    
 N   -4.701700       1.130300      -1.100200    
 C    2.764300      -1.422000     -0.4702000    
 C    1.430900      -2.103600     -0.5811000    
 C  -0.9018000      -3.061800      0.4940000    
 C   -1.879400      -2.121800     -0.2004000    
 C    4.053500      0.3351000     -0.4887000    
 C    4.296800       1.778500     -0.6194000    
 C    4.039700      -1.881300     -0.2370000    
 C    4.876900     -0.7403000     -0.2490000    
 C   -3.211700     -4.1200001E-02  0.3799000    
 C    4.457300       3.898900      0.4941000    
 C   -3.795000      7.1400002E-02 -0.8332000    
 C   -3.035600       1.003900       2.710600    
 H    1.577000      -3.112000     -0.9823000    
 H   0.8071000      -1.544200      -1.284700    
 H   -1.369000      -3.484000       1.390800    
 H  -0.6415000      -3.900900     -0.1592000    
 H   -2.751000      -2.709900     -0.5125000    
 H   -1.436900      -1.700000      -1.109300    
 H    5.297700       1.929500      -1.042500    
 H    3.578800       2.205300      -1.331100    
 H    4.331800      -2.909400     -7.7799998E-02
 H    5.946900     -0.7087000     -0.1009000    
 H   -1.933300      -1.046000       1.625100    
 H    3.260800       2.358300       1.050000    
 H   -4.188300       1.633800       1.094000    
 H    5.466800       4.075800      0.1089000    
 H    4.383500       4.406800       1.460800    
 H    3.730700       4.361300     -0.1823000    
 H   -3.700800     -0.6040000      -1.671600    
 H   -3.300100      0.1086000       3.281300    
 H   -3.481300       1.869400       3.210100    
 H   -1.948500       1.128000       2.720900    


%chk=000163116-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163116

0 1
S 0.319514 -3.487095 1.044487
O 1.973852 -0.854514 -0.658492
O -2.463690 3.286089 0.535660
O -3.342762 2.848994 -1.543722
N -1.283691 -0.786115 0.736017
N 1.326377 2.033913 -0.187233
N -1.367394 1.298102 1.836538
N -2.730611 2.438083 -0.470164
C 2.515118 -2.076647 -0.184952
C 1.685080 -3.293566 -0.319250
C -1.252233 -3.152176 0.037482
C -1.420908 -1.690086 -0.410725
C 2.926196 0.158572 -0.379001
C 2.580334 1.549238 -0.812570
C 3.766278 -1.833301 0.363041
C 4.024697 -0.415163 0.239977
C -1.658713 0.541193 0.738059
C 1.024915 3.451947 -0.491541
C -2.332069 1.099446 -0.387345
C -0.530856 0.854944 2.950265
H 2.307714 -4.194333 -0.213052
H 1.149051 -3.339063 -1.282046
H -2.065538 -3.449345 0.721628
H -1.257242 -3.826782 -0.834686
H -2.431181 -1.586849 -0.850365
H -0.681561 -1.440017 -1.200319
H 3.407085 2.210812 -0.493633
H 2.547931 1.598643 -1.931809
H 4.422606 -2.579892 0.806529
H 4.914119 0.116684 0.571335
H -0.618084 -1.115232 1.446101
H 0.536305 1.423378 -0.438067
H -1.677365 2.288507 1.719066
H 1.773839 4.103295 -0.003394
H 0.030802 3.708416 -0.086931
H 1.026107 3.691137 -1.582026
H -2.585603 0.511811 -1.264302
H -0.948970 -0.040648 3.451342
H -0.485416 1.664266 3.695142
H 0.506268 0.641154 2.620958


