%chk=000103813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103813

0 1
 S   0.9936000      0.8244000     -4.8900001E-02
 O    2.683600      -2.517100      0.1371000    
 N   -5.061900      0.7905000     -3.4000002E-02
 N  -4.2599998E-02  -1.685100      9.6600004E-02
 C    3.377000     -0.2540000      6.2000002E-03
 C   -3.798300      0.1655000     -6.9999998E-04
 C    2.749000      0.9779000     -6.2300000E-02
 C   0.9714000     -0.9021000      4.9100000E-02
 C    2.400500      -1.336200      7.0299998E-02
 C   -1.306500      -1.063300      6.4099997E-02
 C   -3.176000     -0.2128000      -1.190300    
 C   -3.169900     -7.2999999E-02   1.221600    
 C   -1.925400     -0.8297000      -1.157800    
 C   -1.919300     -0.6897000       1.254100    
 C    4.756600     -0.3839000      1.0200000E-02
 C    3.501400       2.140000     -0.1301000    
 C    5.519700      0.7819000     -5.7799999E-02
 C   -6.000600      0.5002000      -1.093000    
 C   -5.448200       1.729700      0.9932000    
 C    4.895900       2.036800     -0.1275000    
 H   -3.632700     -3.0700000E-02  -2.159000    
 H   -3.632400      0.1985000       2.166300    
 H   -1.446600      -1.120100      -2.089100    
 H   -1.437900     -0.8754000       2.210500    
 H    5.237600      -1.354300      6.4199999E-02
 H    3.029300       3.115900     -0.1842000    
 H    6.604400      0.7195000     -5.6800000E-02
 H   -5.748300       1.059400      -2.000300    
 H   -7.021700      0.7789000     -0.8089000    
 H   -6.023100     -0.5701000      -1.328100    
 H   -4.622700       2.401500       1.254900    
 H   -5.780400       1.204800       1.895100    
 H   -6.275500       2.367000      0.6604000    
 H    5.503100       2.936400     -0.1800000    


%chk=000103813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103813

0 1
S 1.478268 1.001666 -1.078115
O 2.564241 -1.264127 2.087079
N -5.477281 0.494670 -0.061058
N 0.013671 -0.414003 0.984384
C 3.620749 -0.016347 0.273863
C -4.120712 0.286196 0.169512
C 3.278127 0.782687 -0.844871
C 1.147730 -0.081988 0.469777
C 2.474739 -0.535619 1.058121
C -1.307851 -0.135986 0.645502
C -3.123306 0.867866 -0.685238
C -3.667370 -0.516384 1.270673
C -1.758159 0.663269 -0.454426
C -2.302018 -0.714278 1.492684
C 4.978638 -0.269427 0.575367
C 4.270928 1.337599 -1.674090
C 5.984699 0.279488 -0.245680
C -5.919895 1.316801 -1.197868
C -6.479060 -0.108176 0.831868
C 5.628048 1.078283 -1.363775
H -3.422299 1.485582 -1.536134
H -4.386838 -0.982243 1.948636
H -1.040182 1.130252 -1.135171
H -1.952254 -1.324466 2.331307
H 5.214317 -0.890723 1.446537
H 4.005996 1.954915 -2.538417
H 7.040458 0.092127 -0.024319
H -5.538180 2.354638 -1.125782
H -7.019710 1.360537 -1.211002
H -5.583986 0.892705 -2.164945
H -6.355452 0.239644 1.876570
H -6.417715 -1.214630 0.827846
H -7.487777 0.177281 0.496264
H 6.412537 1.503489 -1.999997


