%chk=000076105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076105

0 1
 S   0.4519000       1.582200      0.1752000    
 N   -1.746800      2.9100001E-02  2.0800000E-02
 N   0.4328000     -0.9839000     -8.3899997E-02
 C   -4.625000     -0.1374000     -0.1126000    
 C   -3.914700       1.196900      7.8500003E-02
 C   -3.791300      -1.266400      0.4811000    
 C   -2.502600       1.172000     -0.5046000    
 C   -2.383000      -1.289500     -0.1091000    
 C  -0.3470000      7.2499998E-02  2.4100000E-02
 C    1.976500      0.7811000      9.1899998E-02
 C    1.763500     -0.5937000     -4.6700001E-02
 C    3.267900       1.329800      0.1455000    
 C    2.884600      -1.447500     -0.1347000    
 C    4.359900      0.4628000      5.6299999E-02
 C    4.173100     -0.9080000     -8.2000002E-02
 H   -5.608900     -0.1080000      0.3685000    
 H   -4.791400     -0.3204000      -1.181000    
 H   -4.495800       1.997000     -0.3936000    
 H   -3.861800       1.427100       1.150300    
 H   -3.728700      -1.135900       1.569000    
 H   -4.284100      -2.228100      0.3003000    
 H   -2.552000       1.099000      -1.598500    
 H   -2.056900       2.141500     -0.2643000    
 H   -1.808700      -2.060000      0.4197000    
 H   -2.421200      -1.573300      -1.168100    
 H    3.421500       2.399200      0.2534000    
 H    2.750000      -2.520100     -0.2428000    
 H    5.368100      0.8670000      9.5600002E-02
 H    5.034400      -1.566900     -0.1499000    


%chk=000076105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076105

0 1
S 0.452782 1.768688 -0.297714
N -1.770704 0.029790 -0.506287
N 0.392407 -0.950931 -0.199572
C -4.588681 -0.149594 0.221331
C -3.819172 1.190809 0.296605
C -3.624446 -1.340878 0.434069
C -2.639860 1.206015 -0.703414
C -2.449719 -1.288823 -0.567667
C -0.412053 0.091922 -0.342653
C 2.000020 0.837205 -0.057504
C 1.735917 -0.573821 -0.037998
C 3.297404 1.354727 0.094170
C 2.817498 -1.469766 0.138049
C 4.365921 0.441258 0.269463
C 4.123078 -0.956301 0.290112
H -5.398833 -0.169259 0.973736
H -5.071363 -0.240713 -0.774175
H -4.491509 2.040812 0.072530
H -3.424635 1.337817 1.320478
H -3.220682 -1.316592 1.464599
H -4.159156 -2.301861 0.309827
H -3.033509 1.193570 -1.743038
H -2.046057 2.127955 -0.585289
H -1.694002 -2.061034 -0.357746
H -2.829874 -1.444216 -1.600596
H 3.486588 2.432730 0.078922
H 2.619482 -2.545687 0.152660
H 5.385659 0.822323 0.389437
H 4.961798 -1.648044 0.426067


