%chk=000040742.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040742

0 1
 N   -1.405800      0.5496000     -0.1506000    
 N   -4.827800     -0.9400000     -7.2700001E-02
 C  -0.8326000       1.785200      0.3971000    
 C  -0.6543000     -0.6202000      0.3374000    
 C   0.5804000       1.993900     -0.1572000    
 C   0.8381000     -0.5020000      0.1286000    
 C    1.434300      0.7562000     -6.3600004E-02
 C   -2.819400      0.4310000      0.2051000    
 C   -3.422300     -0.8122000     -0.4420000    
 C    1.645000      -1.646300      0.1902000    
 C    2.822400      0.8476000     -0.2288000    
 C    3.027200      -1.544000      3.4100000E-02
 C    3.614900     -0.2988000     -0.1774000    
 H  -0.8087000       1.751100       1.494900    
 H   -1.439900       2.653400      0.1130000    
 H  -0.9526000      -1.513100     -0.2207000    
 H  -0.8369000     -0.7932000       1.406200    
 H    1.056300       2.816100      0.3904000    
 H   0.5192000       2.286000      -1.213300    
 H   -2.948800      0.3968000       1.295500    
 H   -3.363700       1.312900     -0.1574000    
 H   -3.340500     -0.7566000      -1.533200    
 H   -2.941700      -1.736300     -0.1123000    
 H    1.200300      -2.623500      0.3605000    
 H    3.292500       1.812800     -0.3988000    
 H    3.645500      -2.435800      7.8599997E-02
 H    4.691000     -0.2205000     -0.3024000    
 H   -4.910800      -1.036600      0.9385000    
 H   -5.207300      -1.796600     -0.4740000    


%chk=000040742-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040742

0 1
N -1.391017 0.434344 -0.004870
N -4.976543 -0.817372 -0.120382
C -0.806155 1.728216 0.426595
C -0.567894 -0.703143 0.467027
C 0.538847 1.949964 -0.288728
C 0.922925 -0.519838 0.205575
C 1.460861 0.749112 -0.134950
C -2.820550 0.286740 0.350939
C -3.559961 -0.742000 -0.532039
C 1.790920 -1.632875 0.332752
C 2.858487 0.874880 -0.339656
C 3.180025 -1.500760 0.125149
C 3.718328 -0.236511 -0.213671
H -0.655952 1.766905 1.537058
H -1.512393 2.534895 0.159853
H -0.911659 -1.626998 -0.033572
H -0.716668 -0.867345 1.570892
H 1.030273 2.862472 0.101297
H 0.336822 2.120915 -1.364421
H -2.951154 0.004861 1.431117
H -3.325657 1.259028 0.212114
H -3.513948 -0.390172 -1.577984
H -3.030679 -1.724145 -0.497862
H 1.371792 -2.613309 0.594310
H 3.272256 1.857732 -0.599300
H 3.836723 -2.372303 0.224422
H 4.795986 -0.120500 -0.375247
H -5.121334 -1.199069 0.819560
H -5.598680 -1.246820 -0.810278


