%chk=000178683.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178683

0 1
 S    2.783300      -2.903200      0.2847000    
 S    4.086400     -0.1815000     -0.4171000    
 S   0.1386000      -4.299500      0.6320000    
 S    3.536100       2.767000     -0.6778000    
 N   0.5475000      -1.545100      0.2046000    
 N    1.643300      0.7339000     -0.2083000    
 C    1.599700     -0.6506000     -1.5500000E-02
 C    2.800200      -1.233900     -4.8400000E-02
 C  -0.8371000      -1.247100      3.7300002E-02
 C   0.5618000       1.633600      2.6000001E-02
 C   0.9983000      -2.879500      0.4120000    
 C    2.960500       1.209100     -0.4648000    
 C   -1.451600      -1.458300      -1.196900    
 C   -1.576700     -0.7444000       1.107700    
 C   -3.545500     -0.6640000     -0.2905000    
 C   0.4062000       2.217500       1.280200    
 C  -0.3319000       1.923700      -1.001300    
 C   -2.805800      -1.166700      -1.360900    
 C   -2.930900     -0.4530000      0.9439000    
 C  -0.6510000       3.098300       1.508900    
 C   -1.389100       2.804400     -0.7728000    
 C   -4.993600     -0.3524000     -0.4654000    
 C   -1.548600       3.391800      0.4824000    
 H  -0.8850000      -1.846500      -2.039400    
 H   -1.109500     -0.5804000       2.075300    
 H    1.097300       1.993600       2.088600    
 H  -0.2143000       1.475100      -1.984300    
 H   -3.273200      -1.336300      -2.327200    
 H   -3.496800     -6.3299999E-02   1.785900    
 H  -0.7762000       3.554300       2.486600    
 H   -2.088400       3.032200      -1.571900    
 H   -5.296500      0.4845000      0.1730000    
 H   -5.213900     -6.2700003E-02  -1.498500    
 H   -5.599700      -1.227100     -0.2096000    
 H   -2.372600       4.076400      0.6606000    


%chk=000178683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178683

0 1
S 2.812390 -3.079730 0.075390
S 4.260289 -0.103274 -0.079573
S -0.057674 -4.295752 0.198385
S 3.448646 2.905540 -0.184922
N 0.597495 -1.589780 0.052190
N 1.721935 0.720189 -0.041815
C 1.686880 -0.691750 0.001749
C 2.925146 -1.294228 -0.002319
C -0.813084 -1.229920 -0.008943
C 0.569948 1.611256 0.025971
C 0.956289 -2.955047 0.110093
C 3.018140 1.280052 -0.101868
C -1.497203 -1.351544 -1.236514
C -1.495589 -0.838431 1.160240
C -3.584099 -0.646805 -0.134522
C 0.264683 2.232723 1.255899
C -0.166889 1.898083 -1.141188
C -2.873985 -1.055598 -1.293718
C -2.872342 -0.540794 1.088464
C -0.811034 3.143290 1.320380
C -1.245440 2.806656 -1.067649
C -5.074448 -0.365558 -0.192667
C -1.568279 3.429146 0.160092
H -0.958644 -1.689530 -2.127610
H -0.958355 -0.775835 2.112056
H 0.875420 2.018956 2.138717
H 0.108095 1.427698 -2.090531
H -3.406861 -1.151002 -2.246926
H -3.402589 -0.229116 1.995738
H -1.050831 3.634618 2.269221
H -1.824543 3.033268 -1.968941
H -5.369633 0.412919 0.532406
H -5.387388 -0.035266 -1.198322
H -5.655669 -1.276363 0.049549
H -2.399475 4.140826 0.210586


