%chk=000042387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042387

0 1
 S    1.092000     -0.9479000      -1.086900    
 S    3.097800     -0.9523000      -1.427400    
 O   -1.292700       1.860000     -0.6663000    
 N   0.2057000      0.2693000       1.093100    
 N    2.503700      0.3436000      0.8074000    
 N    4.801300      0.2329000      0.2281000    
 C   -1.021400     -0.1694000      0.5815000    
 C   -1.754500      0.6336000     -0.2924000    
 C   -1.510500      -1.421300      0.9545000    
 C   -2.976500      0.1844000     -0.7933000    
 C   -2.732600      -1.870400      0.4537000    
 C   -3.465600      -1.067500     -0.4201000    
 C    1.250700     -3.7300002E-02  0.3966000    
 C    3.476200     -2.7899999E-02  2.7600000E-02
 C   -1.673400       2.970100      0.1439000    
 H  -0.9494000      -2.054300       1.637300    
 H   -3.552800      0.8041000      -1.475000    
 H   -3.113600      -2.844900      0.7446000    
 H   -4.417000      -1.417200     -0.8100000    
 H   -1.315700       2.841000       1.170200    
 H   -2.761000       3.093600      0.1378000    
 H   -1.217000       3.871500     -0.2742000    
 H    5.506900     -8.9900002E-02 -0.4250000    
 H    5.118800      0.7572000       1.036100    


%chk=000042387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042387

0 1
S 1.342948 -1.870209 -0.598786
S 3.610901 -1.664390 -0.750125
O -2.162728 2.151449 -0.576483
N 0.067080 0.506687 0.491204
N 2.436844 0.493608 0.575732
N 4.775805 0.522959 0.436222
C -1.203696 -0.043266 0.233714
C -2.256623 0.790200 -0.274523
C -1.492116 -1.419276 0.487741
C -3.510200 0.209840 -0.591959
C -2.748786 -1.977813 0.185651
C -3.758124 -1.159633 -0.375213
C 1.209485 -0.046495 0.284791
C 3.562976 -0.060891 0.190213
C -1.239543 3.030151 0.166735
H -0.728438 -2.034247 0.979955
H -4.278855 0.870390 -1.004964
H -2.940324 -3.035024 0.395325
H -4.738964 -1.579337 -0.622338
H -0.190975 2.840615 -0.111831
H -1.349649 2.885283 1.256353
H -1.548135 4.048246 -0.118779
H 5.651144 0.074092 0.178825
H 4.789370 1.428058 0.904341


