%chk=000000496.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000496

0 1
 O   -4.997100     -5.7000001E-03 -8.3999997E-03
 N   0.5108000      0.9677000      7.1900003E-02
 N   -2.775300     -0.5029000      0.4821000    
 N    6.450200      -1.001000     -0.1062000    
 C    2.835600      0.2473000      0.3704000    
 C    1.686100      0.4480000     -0.6172000    
 C  -0.5956000       1.153700     -0.8563000    
 C   -1.846500       1.691100     -0.1552000    
 C    4.082800     -0.2903000     -0.3388000    
 C   -2.379600      0.7936000      0.9599000    
 C    5.279600     -0.4867000      0.5942000    
 C   -4.057300     -0.7953000      3.5700001E-02
 C   -4.193900      -2.219400     -0.4323000    
 H    3.079300       1.199100      0.8589000    
 H    2.534000     -0.4535000       1.158900    
 H    2.000700       1.143100      -1.405200    
 H    1.448900     -0.5126000      -1.090300    
 H  -0.3107000       1.865300      -1.641200    
 H  -0.8390000      0.2057000      -1.350900    
 H   -1.628400       2.680900      0.2652000    
 H   -2.629600       1.837000     -0.9099000    
 H    3.836800      -1.246700     -0.8182000    
 H    4.363700      0.4023000      -1.142800    
 H   0.7363000       1.853700      0.5230000    
 H   -1.627900      0.6420000       1.741100    
 H   -3.245500       1.276100       1.427100    
 H    5.542300      0.4653000       1.068200    
 H    5.014800      -1.183400       1.397100    
 H   -2.069000      -1.233000      0.4613000    
 H    6.216000      -1.885000     -0.5567000    
 H    6.702800     -0.3632000     -0.8604000    
 H   -5.252100      -2.468800     -0.5489000    
 H   -3.687300      -2.336000      -1.394200    
 H   -3.752000      -2.903700      0.2977000    


%chk=000000496-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000496

0 1
O -4.660497 -0.690084 0.317170
N 0.244663 1.077901 -0.091577
N -2.377222 -0.244934 0.464077
N 6.117119 -1.450863 0.056445
C 2.499117 0.057180 0.249758
C 1.500388 0.654563 -0.759893
C -0.774491 1.648207 -1.011324
C -2.031135 2.142768 -0.257082
C 3.822120 -0.396989 -0.407696
C -2.519668 1.163779 0.847687
C 4.829415 -0.995854 0.613666
C -3.452975 -1.077996 0.220594
C -3.094602 -2.512756 -0.168736
H 2.722187 0.810734 1.035538
H 2.017003 -0.797924 0.763818
H 1.990930 1.495072 -1.312686
H 1.238921 -0.109839 -1.519025
H -0.370677 2.483334 -1.634437
H -1.066574 0.844049 -1.714540
H -1.833825 3.127026 0.214055
H -2.833437 2.299860 -1.002066
H 3.610187 -1.155486 -1.190237
H 4.301217 0.462041 -0.922895
H 0.449747 1.727909 0.683209
H -1.943504 1.333919 1.777299
H -3.586661 1.336496 1.069695
H 5.041755 -0.242695 1.397932
H 4.356197 -1.854023 1.129984
H -1.406617 -0.558387 0.350082
H 6.041640 -2.245375 -0.586143
H 6.696815 -0.701040 -0.332890
H -3.521980 -3.204339 0.578121
H -3.564303 -2.750594 -1.138720
H -2.007351 -2.690962 -0.239587


