%chk=000176612.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176612

0 1
 S    3.266400      -1.385600      0.1164000    
 S   -3.472200     -0.2982000      -1.473200    
 N    3.921400       1.307900     -0.1280000    
 N   -3.646900      8.4399998E-02   1.248300    
 N   0.5662000     -0.1307000      9.3400002E-02
 N  -0.7089000      0.3347000      7.3200002E-02
 C    5.760400     -0.2922000     -0.4517000    
 C    5.346700       1.102700      1.9000000E-03
 C    5.065300      -1.373800      0.3666000    
 C   -5.790000     -0.2249000      5.4000001E-03
 C    2.935400      0.3429000     -7.7000000E-03
 C   -5.213400      0.1739000      -1.344100    
 C   -5.055800      0.4659000       1.148400    
 C   -3.013900     -0.2040000      0.1774000    
 C    1.633300      0.6879000     -1.3600000E-02
 C   -1.594000     -0.5910000      0.1872000    
 H    5.549500     -0.4265000      -1.520200    
 H    6.845100     -0.3952000     -0.3288000    
 H    5.638200       1.261300       1.046500    
 H    5.872300       1.854000     -0.5973000    
 H    5.451200      -2.358500      8.4100001E-02
 H    5.269000      -1.236200       1.434100    
 H    3.601100       2.269200     -0.2035000    
 H   -5.753200      -1.314500      0.1318000    
 H   -6.848000      6.1200000E-02  3.7799999E-02
 H   -5.769000     -0.3110000      -2.152700    
 H   -5.294000       1.256500      -1.488800    
 H   -5.130400       1.555800       1.056100    
 H   -5.545600      0.1944000       2.090300    
 H    1.352300       1.734200     -0.1037000    
 H   -1.387500      -1.669600      0.3054000    
 H   0.7434000      -1.126000      0.1880000    


%chk=000176612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176612

0 1
S 3.536163 -1.550609 0.329147
S -3.255652 1.149540 -0.814845
N 4.001755 0.638247 -1.317642
N -3.895511 -0.956869 1.033808
N 0.647487 -0.446170 -0.025723
N -0.641771 -0.035869 -0.155475
C 5.963545 -0.111008 0.044775
C 5.242999 1.071315 -0.641860
C 5.092104 -0.783094 1.119383
C -5.831432 0.016569 -0.333731
C 2.999884 -0.036553 -0.595344
C -5.128354 1.363299 -0.561146
C -5.342596 -0.679680 0.956173
C -2.993853 -0.293403 0.361417
C 1.667725 0.289359 -0.643111
C -1.592339 -0.687621 0.496407
H 6.251122 -0.858122 -0.717314
H 6.889930 0.270138 0.519076
H 5.040188 1.858980 0.121999
H 5.910267 1.509055 -1.405717
H 5.608252 -1.629025 1.601975
H 4.763326 -0.065732 1.891014
H 3.678315 1.226345 -2.088753
H -5.655305 -0.642862 -1.204538
H -6.924205 0.182237 -0.256828
H -5.479378 1.856911 -1.482054
H -5.280927 2.045019 0.292765
H -5.618844 -0.064034 1.839367
H -5.862668 -1.647934 1.082265
H 1.303811 1.154531 -1.204856
H -1.409213 -1.550664 1.160471
H 0.909573 -1.243295 0.577895


