%chk=000050362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050362

0 1
 O   -4.819700       2.713300     -0.1629000    
 N    5.283700      0.2753000     -0.1890000    
 N  -0.2258000     -0.3079000      0.6181000    
 N  -0.8088000     -0.4402000     -0.4836000    
 C    3.895600      0.1287000      1.4100000E-02
 C    3.072100       1.254100      4.3299999E-02
 C    3.346400      -1.142100      0.1859000    
 C    1.157100     -0.1608000      0.4152000    
 C    1.699400       1.109000      0.2445000    
 C    1.973700      -1.287100      0.3869000    
 C    5.968600       1.471500      0.2585000    
 C    6.045600     -0.7746000     -0.8357000    
 C   -2.185100     -0.5868000     -0.2811000    
 C   -3.009900      0.5378000     -0.2512000    
 C   -4.382400      0.3908000     -4.9600001E-02
 C   -2.732800      -1.858100     -0.1093000    
 C   -4.929800     -0.8806000      0.1220000    
 C   -4.105200      -2.005100      9.2100002E-02
 C   -5.242700       1.563000     -1.8100001E-02
 H    3.465800       2.256500     -9.8800004E-02
 H    3.960500      -2.038100      0.1809000    
 H    1.064400       1.990700      0.2642000    
 H    1.553900      -2.280200      0.5232000    
 H    5.813600       2.294500     -0.4471000    
 H    7.048700       1.303500      0.3357000    
 H    5.626700       1.781300       1.252600    
 H    6.999900     -0.3930000      -1.215900    
 H    5.508000      -1.189300      -1.696100    
 H    6.271300      -1.581300     -0.1304000    
 H   -2.570600       1.523500     -0.3872000    
 H   -2.098500      -2.740500     -0.1317000    
 H   -5.997300      -1.011500      0.2800000    
 H   -4.531400      -2.995100      0.2255000    
 H   -6.318900       1.383000      0.1448000    


%chk=000050362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050362

0 1
O -4.455386 -0.776196 3.211850
N 5.421269 0.208483 -0.116932
N -0.223929 -0.152481 0.297492
N -0.951677 -0.038886 -0.792996
C 4.033838 0.121107 -0.041137
C 3.218577 0.237932 -1.222325
C 3.369692 -0.086797 1.214183
C 1.173433 -0.052611 0.104103
C 1.826513 0.153351 -1.149536
C 1.973461 -0.170450 1.275307
C 6.083460 0.422658 -1.413068
C 6.235532 0.092981 1.102608
C -2.363175 -0.143583 -0.559896
C -2.972976 -0.350551 0.704451
C -4.382463 -0.433779 0.796929
C -3.178374 -0.022951 -1.720871
C -5.190356 -0.311524 -0.368552
C -4.583565 -0.106548 -1.626008
C -5.048571 -0.649645 2.107761
H 3.688200 0.396536 -2.197118
H 3.947286 -0.181876 2.137101
H 1.209509 0.243565 -2.049122
H 1.462486 -0.328793 2.231040
H 5.865208 -0.398319 -2.124417
H 7.173483 0.461087 -1.264245
H 5.768752 1.376662 -1.880695
H 7.300457 0.195480 0.843412
H 6.096216 -0.889891 1.595195
H 5.984174 0.883874 1.836933
H -2.356737 -0.445258 1.603852
H -2.679780 0.136179 -2.683013
H -6.282243 -0.377662 -0.280500
H -5.198515 -0.011925 -2.527121
H -6.167697 -0.695968 2.055137


