%chk=000115059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115059

0 1
 S   0.2622000       1.420300     -0.9893000    
 S  -0.2651000       1.405300      0.9970000    
 N    3.929000     -0.2639000     -0.5662000    
 N   -3.930200     -0.2721000      0.5636000    
 N    8.658600      -1.290200      0.3652000    
 N   -8.658700      -1.285500     -0.3769000    
 C    5.190200      0.2664000     -6.2600002E-02
 C   -5.190000      0.2648000      7.0500001E-02
 C    6.306500     -0.7797000     -9.8800004E-02
 C   -6.306100     -0.7818000      9.2000000E-02
 C    2.886800      0.7524000     -0.5313000    
 C   -2.885600      0.7475000      0.5381000    
 C    7.636500     -0.2522000      0.4426000    
 C   -7.636800     -0.2463000     -0.4397000    
 C    1.572300      0.1628000      -1.026700    
 C   -1.569600      0.1520000       1.022600    
 H    5.064700      0.6146000      0.9702000    
 H    5.498400       1.128300     -0.6672000    
 H   -5.066900      0.6288000     -0.9572000    
 H   -5.498200       1.117300      0.6882000    
 H    6.444100      -1.123300      -1.132800    
 H    5.998500      -1.656100      0.4871000    
 H   -5.998700      -1.649000     -0.5078000    
 H   -6.442400      -1.141300       1.120700    
 H    3.176300       1.597500      -1.168600    
 H    2.773900       1.124300      0.4941000    
 H   -3.174900       1.584000       1.186600    
 H   -2.776900       1.131200     -0.4834000    
 H    3.648100      -1.068900     -6.8999999E-03
 H   -3.649500      -1.069000     -7.1000000E-03
 H    7.961700      0.6153000     -0.1412000    
 H    7.520100      6.8899997E-02   1.483400    
 H   -7.961400      0.6121000      0.1577000    
 H   -7.521700      9.0599999E-02  -1.475500    
 H    1.681400     -0.1639000      -2.067200    
 H    1.268900     -0.7151000     -0.4455000    
 H   -1.677500     -0.1886000       2.058700    
 H   -1.269600     -0.7193000      0.4298000    
 H    8.377500      -2.091600      0.9289000    
 H    9.524500     -0.9424000      0.7751000    
 H   -8.378300      -2.078000     -0.9531000    
 H   -9.525100     -0.9316000     -0.7804000    


%chk=000115059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115059

0 1
S 0.315856 1.531382 -1.090136
S -0.314816 1.523420 1.096963
N 4.059395 -0.189966 -0.368072
N -4.058506 -0.192923 0.363748
N 8.785951 -1.517308 0.422560
N -8.785856 -1.513469 -0.434484
C 5.413547 0.307223 -0.031739
C -5.413993 0.307421 0.037563
C 6.430359 -0.849170 0.015574
C -6.429410 -0.849419 -0.025214
C 3.004185 0.846534 -0.393106
C -3.003690 0.843722 0.396889
C 7.858005 -0.370443 0.349667
C -7.859523 -0.366722 -0.342712
C 1.733790 0.272637 -1.036298
C -1.732498 0.264772 1.033988
H 5.437595 0.861532 0.941758
H 5.713780 1.031184 -0.815825
H -5.440585 0.876151 -0.927507
H -5.713713 1.019219 0.832932
H 6.442485 -1.377081 -0.954516
H 6.108059 -1.588016 0.782227
H -6.110342 -1.573748 -0.806896
H -6.435561 -1.394821 0.935235
H 3.367515 1.693585 -1.004892
H 2.754969 1.257978 0.615322
H -3.366805 1.685290 1.016313
H -2.755605 1.264062 -0.608128
H 3.794517 -0.981590 0.236355
H -3.795307 -0.977702 -0.250232
H 8.209474 0.301001 -0.457645
H 7.821715 0.243644 1.284714
H -8.208206 0.287470 0.479825
H -7.828823 0.266440 -1.265159
H 1.915751 0.002434 -2.092098
H 1.367854 -0.621222 -0.501827
H -1.913403 -0.014423 2.087619
H -1.366841 -0.624414 0.491634
H 8.536331 -2.205141 1.140769
H 9.776809 -1.261297 0.467287
H -8.539984 -2.185051 -1.169150
H -9.777470 -1.258578 -0.466607


