%chk=000027564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027564

0 1
 S   -1.733800     -0.3963000      -1.540600    
 N    2.915600      0.5296000     -0.2357000    
 N  -0.2190000      -1.969600      6.4800002E-02
 N    1.107800       1.169800      -1.372200    
 N    2.088900      -1.539600      0.7315000    
 C   -2.921900     -0.2704000     -0.1799000    
 C   -4.305200      0.1601000     -0.6508000    
 C   -2.556000      0.8202000      0.8192000    
 C   -4.985800      0.6425000      0.6275000    
 C   -3.861100       1.079000       1.568400    
 C  -0.2445000     -0.8397000     -0.6575000    
 C   0.8574000     -1.5900001E-02 -0.7283000    
 C    1.970300     -0.4311000     -1.4800000E-02
 C    4.259200      0.5597000      0.2893000    
 C    2.350300       1.469700      -1.056000    
 C   0.9391000      -2.248100      0.7107000    
 C    4.338700       1.280000       1.624400    
 H   -2.994300      -1.239900      0.3285000    
 H   -4.862600     -0.6541000      -1.125000    
 H   -4.247800      0.9926000      -1.363800    
 H   -2.243500       1.743100      0.3138000    
 H   -1.756700      0.5223000       1.505200    
 H   -5.556400     -0.1734000       1.086300    
 H   -5.686500       1.458300      0.4233000    
 H   -3.954000       2.132200       1.852500    
 H   -3.897100      0.4862000       2.489600    
 H    4.611200     -0.4730000      0.3867000    
 H    4.896800       1.056400     -0.4504000    
 H    2.887900       2.347700      -1.387400    
 H   0.9419000      -3.165300       1.290100    
 H    4.000600       2.317700       1.534300    
 H    5.369800       1.287300       1.991200    
 H    3.712000      0.7887000       2.376200    


%chk=000027564-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027564

0 1
S -1.622399 0.942549 -1.000303
N 3.369251 0.393527 -0.442499
N -0.356994 -0.640851 0.881540
N 1.638863 1.394767 -1.587327
N 2.059350 -0.937605 1.186410
C -3.045798 0.146625 -0.024735
C -4.357856 0.225701 -0.836015
C -3.380159 0.860848 1.302019
C -5.458996 -0.030688 0.238370
C -4.822515 0.365003 1.620390
C -0.191081 0.230438 -0.157177
C 1.125474 0.561697 -0.576823
C 2.190459 -0.066018 0.147866
C 4.739304 0.058613 -0.005868
C 2.973603 1.265329 -1.468814
C 0.750534 -1.174127 1.490016
C 5.191800 0.900156 1.204351
H -2.732938 -0.894297 0.164165
H -4.388037 -0.498482 -1.668034
H -4.471037 1.239210 -1.267389
H -3.372686 1.955595 1.141678
H -2.648682 0.624139 2.091644
H -5.749155 -1.096901 0.241013
H -6.371392 0.551728 0.020189
H -5.408978 1.145129 2.137025
H -4.789062 -0.512814 2.290722
H 4.749473 -1.014383 0.253492
H 5.413067 0.209310 -0.868107
H 3.701018 1.771977 -2.100724
H 0.557446 -1.867299 2.313701
H 5.184653 1.978559 0.967397
H 6.218438 0.615640 1.496827
H 4.526333 0.723625 2.066100


