%chk=000006303.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006303

0 1
 O    2.196500      0.2856000      0.9718000    
 O    1.241500      -2.553400     -0.9939000    
 O    4.174500       2.190400      0.3973000    
 N  -1.9500000E-02  0.1514000      0.1438000    
 N   -1.315100       1.857400     -0.4728000    
 N   -1.722200      -1.513200      0.6236000    
 N   -3.962700     -0.6256000      0.2376000    
 N   -4.345300       1.612000     -0.5198000    
 C    1.195800     -0.6022000      0.4426000    
 C    1.815800      -1.281300     -0.7682000    
 C    3.263500      -1.383400     -0.3441000    
 C    3.479700     -9.9900000E-02  0.4426000    
 C    4.015600       1.037800     -0.4148000    
 C   -1.305900     -0.2973000      0.2389000    
 C  -7.6700002E-02   1.450400     -0.2867000    
 C   -2.093600      0.7751000     -0.1481000    
 C   -3.470900      0.5788000     -0.1405000    
 C   -3.070900      -1.582700      0.5909000    
 H   0.9401000      -1.322200       1.230000    
 H    1.724300     -0.6772000      -1.678500    
 H    3.399500      -2.254200      0.3100000    
 H    3.950900      -1.511500      -1.185900    
 H    4.151100     -0.2646000       1.292600    
 H    3.327700       1.296200      -1.226200    
 H    4.988500      0.7838000     -0.8459000    
 H   0.8075000       2.050600     -0.4533000    
 H   0.2992000      -2.419100      -1.191800    
 H    3.304800       2.402000      0.7779000    
 H   -3.499500      -2.534000      0.8876000    
 H   -3.980800       2.511400     -0.8033000    
 H   -5.342200       1.444500     -0.5070000    


%chk=000006303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006303

0 1
O 2.407186 0.556061 0.925163
O 1.010831 -2.703538 -0.059234
O 4.105855 2.205204 -0.627269
N 0.051830 0.376791 0.568395
N -1.473822 2.094498 0.540795
N -1.414500 -1.463828 -0.268570
N -3.691998 -0.686542 -0.738563
N -4.374991 1.551608 -0.421093
C 1.288457 -0.382427 0.851974
C 1.635203 -1.421124 -0.260187
C 3.168020 -1.507956 -0.121398
C 3.598707 -0.065741 0.211259
C 3.904973 0.809713 -1.013682
C -1.146459 -0.171787 0.102420
C -0.207601 1.735008 0.826461
C -2.072891 0.904610 0.088589
C -3.393717 0.604393 -0.358586
C -2.710838 -1.630351 -0.674614
H 1.172511 -0.908859 1.821688
H 1.357897 -0.974783 -1.241119
H 3.402649 -2.200100 0.705601
H 3.640229 -1.890090 -1.041628
H 4.432430 -0.002829 0.931099
H 3.091178 0.713003 -1.765194
H 4.855743 0.491549 -1.475279
H 0.564646 2.394047 1.212181
H 0.009004 -2.540458 -0.178861
H 3.331859 2.465972 -0.062898
H -2.995460 -2.639974 -0.983193
H -4.173248 2.510245 -0.143384
H -5.302482 1.283288 -0.744475


