%chk=000227340.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227340

0 1
 S   7.7200003E-02   2.494400      -1.861800    
 N  -4.8300002E-02  0.3455000      0.3486000    
 N   -1.773900      -2.832700     -0.5807000    
 C  -0.4583000      -1.060600      0.4773000    
 C    1.259100      0.6012000     -0.1443000    
 C   -1.379400      -1.432900     -0.6773000    
 C   -1.124700       1.267000      0.3338000    
 C    2.427500     -3.2099999E-02  0.4088000    
 C    1.427600       1.537900      -1.189200    
 C   -1.157800       2.326800     -0.5890000    
 C   -2.659800      -3.196700      -1.688200    
 C   -2.430200      -3.096600      0.7013000    
 C    3.690900      0.1938000     -0.2005000    
 C   -2.181900       1.163600       1.260000    
 C    2.685500       1.745900      -1.762100    
 C    3.797900       1.063200      -1.287700    
 C   -3.232700       2.082400       1.268900    
 C   -2.219300       3.244900     -0.5784000    
 C    2.430800     -0.8465000       1.570300    
 C   -3.250400       3.124200      0.3502000    
 C   -1.998800      -2.930900      -3.030100    
 C   -2.787200      -4.566600      0.8429000    
 C    4.849400     -0.4309000      0.2926000    
 C    3.590700      -1.455300       2.057600    
 C    4.799300      -1.257200       1.410300    
 C   -4.333100       1.948100       2.266700    
 H   0.3885000      -1.753700      0.4295000    
 H  -0.8931000      -1.189900       1.469900    
 H   -2.272500     -0.7984000     -0.7172000    
 H  -0.8131000      -1.247800      -1.597200    
 H   -2.874900      -4.270000      -1.672500    
 H   -3.618600      -2.665200      -1.638600    
 H   -1.758400      -2.912100       1.542600    
 H   -3.324500      -2.477200      0.8434000    
 H   -2.184000      0.3792000       2.013000    
 H    2.818200       2.444100      -2.585900    
 H    4.760700       1.247600      -1.760800    
 H   -2.258800       4.060200      -1.297600    
 H    1.523600     -0.9980000       2.150600    
 H   -4.060900       3.847900      0.3427000    
 H   -1.973600      -1.865900      -3.281300    
 H  -0.9802000      -3.332500      -3.069500    
 H   -2.572500      -3.422700      -3.823900    
 H   -3.651800      -4.847600      0.2338000    
 H   -1.943700      -5.216700      0.5862000    
 H   -3.058200      -4.780600       1.883200    
 H    5.813300     -0.2657000     -0.1857000    
 H    3.544300      -2.074500       2.948700    
 H    5.704200      -1.726500       1.783700    
 H   -4.576100      0.8943000       2.440700    
 H   -4.036800       2.404100       3.216600    
 H   -5.250400       2.434900       1.918500    


%chk=000227340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227340

0 1
S -0.310067 2.377044 -2.032369
N -0.182788 0.287563 0.197820
N -2.075230 -2.890854 -0.740872
C -0.604352 -1.138169 0.247701
C 1.097968 0.646799 -0.328030
C -1.607575 -1.490217 -0.882299
C -1.164853 1.304336 0.422524
C 2.311405 0.078944 0.228378
C 1.211280 1.602876 -1.352360
C -1.295410 2.393700 -0.479432
C -2.185081 -3.621358 -2.031407
C -3.287158 -3.006972 0.113909
C 3.584080 0.382899 -0.398947
C -2.017141 1.259303 1.554810
C 2.470874 1.954407 -1.918983
C 3.633743 1.321269 -1.481094
C -2.991823 2.259585 1.791717
C -2.231619 3.417615 -0.240437
C 2.311848 -0.752612 1.398355
C -3.087681 3.343112 0.881768
C -0.812703 -3.993508 -2.624353
C -3.411917 -4.378025 0.805550
C 4.778675 -0.224598 0.112121
C 3.495828 -1.310407 1.886907
C 4.739886 -1.065964 1.225311
C -3.879189 2.195889 3.023661
H 0.283418 -1.778063 0.131024
H -1.051302 -1.384067 1.230685
H -2.453985 -0.764971 -0.871715
H -1.094948 -1.362878 -1.852173
H -2.750506 -4.552479 -1.843638
H -2.775854 -3.037865 -2.782279
H -3.222521 -2.223349 0.892908
H -4.218596 -2.789716 -0.468592
H -1.909538 0.433095 2.267149
H 2.505977 2.705787 -2.714682
H 4.599627 1.556944 -1.941651
H -2.310093 4.255251 -0.941797
H 1.372787 -0.917987 1.933883
H -3.830271 4.131552 1.049354
H -0.200886 -3.098028 -2.836883
H -0.251966 -4.627773 -1.915862
H -0.938359 -4.545646 -3.574573
H -3.509215 -5.201436 0.075194
H -2.516420 -4.575217 1.420437
H -4.305600 -4.403111 1.457081
H 5.732380 -0.001094 -0.381043
H 3.475056 -1.930619 2.789815
H 5.659826 -1.520714 1.608531
H -4.142847 1.155004 3.283267
H -3.369150 2.633519 3.903901
H -4.817214 2.758404 2.874612


