%chk=000040947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040947

0 1
 S    1.317900       3.695100     -0.4940000    
 N   -3.769700      -1.390700     -0.2595000    
 N  -0.4767000       2.357200      0.7834000    
 C   -1.160000     -0.4152000      0.4960000    
 C   -2.356500      0.4964000      0.5211000    
 C   -1.498500      -1.875700      0.6201000    
 C   -3.413100      2.0800000E-02 -0.4825000    
 C   -2.588200      -2.260500     -0.3869000    
 C   9.3900003E-02  3.2400001E-02  0.3438000    
 C    1.168600      -1.002800      0.3408000    
 C   0.3537000       1.439100      0.1609000    
 C    2.121100      -1.069700     -0.6981000    
 C    2.101500     -9.8499998E-02  -1.856800    
 C    2.452800       1.324600      -1.418500    
 C    1.382500       1.977000     -0.5956000    
 C   -4.814400      -1.807900      -1.194400    
 C    1.267000      -1.911700       1.411700    
 C    3.123900      -2.053700     -0.6532000    
 C  -6.2600002E-02   3.572300      0.5090000    
 C    2.269000      -2.881800       1.441300    
 C    3.195000      -2.954900      0.4075000    
 C  -0.7071000       4.808000       1.004000    
 H   -2.779300      0.4951000       1.534000    
 H   -2.232700       1.531900      0.2297000    
 H  -0.7045000      -2.588900      0.4059000    
 H   -1.853800      -2.074500       1.639600    
 H   -4.306900      0.6458000     -0.3606000    
 H   -3.048100      0.1714000      -1.508000    
 H   -2.183500      -2.217800      -1.407600    
 H   -2.877900      -3.301400     -0.1955000    
 H    2.829600     -0.4165000      -2.613900    
 H    1.122000     -0.1368000      -2.350900    
 H    2.622800       1.921100      -2.324200    
 H    3.392300       1.326800     -0.8512000    
 H   -5.114700      -2.843300     -0.9987000    
 H   -4.489700      -1.734300      -2.238700    
 H   -5.711900      -1.192300      -1.068000    
 H   0.5956000      -1.852200       2.266400    
 H    3.865000      -2.120100      -1.446300    
 H    2.332800      -3.570700       2.278500    
 H    3.978200      -3.706800      0.4302000    
 H  -1.4100000E-02   5.395300       1.615000    
 H   -1.055900       5.429800      0.1732000    
 H   -1.575400       4.565200       1.625300    


%chk=000040947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040947

0 1
S 1.534050 3.721930 -0.497340
N -3.897807 -1.480815 -0.471379
N -0.262928 2.403074 0.951236
C -1.301023 -0.444455 0.414279
C -2.519432 0.458432 0.300083
C -1.683490 -1.906235 0.602613
C -3.517034 -0.078875 -0.755732
C -2.708514 -2.360089 -0.467661
C -0.000046 -0.011184 0.299282
C 1.175123 -0.946318 0.403435
C 0.362219 1.429525 0.128659
C 2.091571 -1.077493 -0.681746
C 1.876582 -0.265515 -1.947290
C 2.217254 1.237671 -1.746300
C 1.348704 1.930290 -0.722213
C -4.956631 -1.970525 -1.374034
C 1.414343 -1.675240 1.596922
C 3.205256 -1.942234 -0.552370
C 0.200021 3.622112 0.775281
C 2.530878 -2.531475 1.718920
C 3.430820 -2.670011 0.638017
C -0.256666 4.852509 1.501913
H -3.038939 0.482518 1.278918
H -2.239363 1.494187 0.056257
H -0.803769 -2.569306 0.564344
H -2.162094 -2.030631 1.595389
H -4.432596 0.542244 -0.744908
H -3.056900 0.019269 -1.775574
H -2.204636 -2.372358 -1.471217
H -3.035266 -3.394186 -0.248369
H 2.514591 -0.654938 -2.761808
H 0.824644 -0.348881 -2.282037
H 2.120575 1.758672 -2.720199
H 3.282137 1.326583 -1.448719
H -5.254443 -2.993151 -1.079436
H -4.645768 -1.998425 -2.450215
H -5.845254 -1.318723 -1.293413
H 0.723574 -1.551930 2.438682
H 3.900292 -2.046693 -1.394944
H 2.698637 -3.081955 2.651455
H 4.298597 -3.333871 0.722098
H 0.570220 5.320841 2.066442
H -0.656447 5.612313 0.805613
H -1.051043 4.569942 2.211370


