%chk=000152040.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152040

0 1
 S    3.715500       1.577100     -0.3372000    
 N   -3.401000      0.4609000      0.1744000    
 N    1.205700      0.6910000     -0.4024000    
 N   -3.081600       1.765600      0.1939000    
 N    2.878700     -0.7470000      0.4917000    
 C   -1.225700      0.4598000     -0.1028000    
 C   -2.332000     -0.3761000     -3.0000001E-04
 C   4.7400001E-02 -0.1036000     -0.2912000    
 C   -2.244600      -1.768000     -7.5199999E-02
 C   -1.757300       1.761100      2.4800001E-02
 C   0.1573000      -1.497500     -0.3692000    
 C    2.478000      0.3657000     -3.6600001E-02
 C    4.992100      0.3260000     -0.1323000    
 C    4.321700     -0.6738000      0.7921000    
 C  -0.9704000      -2.313800     -0.2628000    
 C   -4.783600      7.2600000E-02  0.3332000    
 H    1.018400       1.677000     -0.5616000    
 H   -3.119400      -2.403600      4.4999998E-03
 H   -1.234600       2.706900      2.0000001E-03
 H    1.104300      -1.991900     -0.5620000    
 H    5.913000      0.7348000      0.2907000    
 H    5.209500     -0.1251000      -1.105400    
 H    4.773500      -1.663400      0.6650000    
 H    4.452800     -0.3910000       1.844100    
 H  -0.8595000      -3.392700     -0.3377000    
 H   -5.404400      0.9646000      0.4515000    
 H   -5.091300     -0.4779000     -0.5592000    
 H   -4.864500     -0.5565000       1.223100    


%chk=000152040-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152040

0 1
S 3.731708 1.788157 0.213734
N -3.495586 0.462675 -0.004177
N 1.186600 0.675433 0.023220
N -3.097926 1.803215 -0.060979
N 3.042470 -0.864970 0.070583
C -1.236477 0.428615 0.014109
C -2.406449 -0.401725 0.043470
C 0.057305 -0.181295 0.052026
C -2.340820 -1.815652 0.112343
C -1.737530 1.776581 -0.050405
C 0.135556 -1.588559 0.116613
C 2.523782 0.327982 0.082356
C 5.101662 0.532821 -0.154421
C 4.509718 -0.853767 0.256347
C -1.052428 -2.377468 0.148385
C -4.915131 0.125032 0.001874
H 0.989808 1.671711 -0.076410
H -3.239037 -2.439499 0.135238
H -1.202859 2.725428 -0.087909
H 1.118686 -2.062495 0.135183
H 5.989895 0.799821 0.437594
H 5.328218 0.584820 -1.230933
H 4.965918 -1.654707 -0.352033
H 4.735292 -1.065892 1.320969
H -0.946012 -3.466945 0.199696
H -5.479404 1.067544 -0.046629
H -5.178196 -0.500395 -0.870642
H -5.190763 -0.415265 0.925898


