%chk=000227341.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227341

0 1
 S   0.7997000       1.910400     -0.9766000    
 N  -0.9453000     -0.2708000      0.3088000    
 N   -3.763400      -2.548300     -0.5865000    
 C   -1.860900      -1.410200      0.4509000    
 C   0.4479000     -0.5426000      0.2998000    
 C   -1.520000       1.022300      0.2843000    
 C    1.385400      0.3843000     -0.2192000    
 C   -2.863000      -1.407400     -0.6964000    
 C    2.798500      0.1138000     -0.2043000    
 C  -0.8066000       2.111900     -0.2433000    
 C   0.9573000      -1.732500      0.8502000    
 C    3.248000      -1.106000      0.3550000    
 C    2.323000      -2.010000      0.8753000    
 C   -2.801600       1.286000      0.8129000    
 C   -1.366600       3.400600     -0.2572000    
 C    3.801800      0.9831000     -0.7120000    
 C    4.618200      -1.418700      0.3953000    
 C   -3.353400       2.569700      0.8025000    
 C   -2.635700       3.628000      0.2651000    
 C   -4.704500      -2.572800      -1.707800    
 C   -4.489700      -2.512000      0.6843000    
 C    5.161200      0.6617000     -0.6677000    
 C    5.569600     -0.5406000     -0.1134000    
 H   -1.363300      -2.382000      0.3818000    
 H   -2.308300      -1.369900       1.449000    
 H   -3.449100     -0.4887000     -0.7797000    
 H   -2.300500      -1.487000      -1.637300    
 H   0.3236000      -2.465800       1.340500    
 H    2.652800      -2.945000       1.325100    
 H   -3.396500      0.5099000       1.286600    
 H  -0.8194000       4.241900     -0.6776000    
 H    3.543800       1.941400      -1.156600    
 H    4.958500      -2.358200      0.8272000    
 H   -4.340200       2.738800       1.223500    
 H   -3.060000       4.627200      0.2540000    
 H   -4.166500      -2.623600      -2.661100    
 H   -5.353400      -1.689400      -1.724000    
 H   -5.338000      -3.465600      -1.659600    
 H   -5.275300      -3.277600      0.6944000    
 H   -3.846400      -2.763400       1.532700    
 H   -4.970900      -1.544100      0.8655000    
 H    5.895400       1.355400      -1.067000    
 H    6.624100     -0.7960000     -7.5400002E-02


%chk=000227341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227341

0 1
S 0.657590 1.698603 -1.362404
N -0.965525 -0.322157 0.223618
N -3.940786 -2.567640 -0.555188
C -1.907269 -1.455621 0.367000
C 0.445088 -0.559049 0.271627
C -1.456625 1.012434 0.354702
C 1.348323 0.310707 -0.366891
C -2.978033 -1.458534 -0.753645
C 2.768253 0.113800 -0.297943
C -0.757330 2.088632 -0.257013
C 0.972833 -1.671334 1.015295
C 3.274370 -1.045213 0.414552
C 2.342394 -1.916114 1.064046
C -2.624519 1.316825 1.105993
C -1.180484 3.422207 -0.099703
C 3.712009 0.992736 -0.929337
C 4.686807 -1.280729 0.458891
C -3.073566 2.649358 1.230918
C -2.353479 3.709754 0.636978
C -4.529236 -3.051949 -1.821593
C -4.981950 -2.257950 0.446993
C 5.083568 0.736250 -0.866484
C 5.579996 -0.411589 -0.170997
H -1.343691 -2.395220 0.270257
H -2.385847 -1.469987 1.368015
H -3.485568 -0.466230 -0.813088
H -2.455320 -1.608487 -1.715249
H 0.288581 -2.324401 1.564421
H 2.722078 -2.778705 1.623801
H -3.182415 0.515030 1.598893
H -0.605960 4.227785 -0.568993
H 3.342413 1.880368 -1.453767
H 5.056330 -2.159772 1.000629
H -3.982609 2.856985 1.806146
H -2.696091 4.744205 0.740991
H -3.725244 -3.354771 -2.514963
H -5.165817 -2.290238 -2.338590
H -5.157420 -3.938923 -1.621570
H -5.602835 -3.154125 0.624683
H -4.521017 -1.977485 1.410375
H -5.658656 -1.423054 0.131714
H 5.788675 1.421798 -1.349480
H 6.658283 -0.600001 -0.131641


