%chk=000016966.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016966

0 1
 O    5.015100      0.2754000      0.2482000    
 N  -0.4671000      8.1400000E-02 -0.5900000    
 N   -1.065400      1.7400000E-02  0.5096000    
 C   0.9215000      0.1303000     -0.3791000    
 C    3.670500      0.2277000      4.2300001E-02
 C    1.653000      -1.051700     -0.3191000    
 C    1.554000       1.360700     -0.2300000    
 C    3.030900      -1.002900     -0.1078000    
 C    2.931900       1.409500     -1.8700000E-02
 C   -2.447300     -3.0999999E-02  0.3003000    
 C   -3.087400      -1.261500      0.1522000    
 C   -3.185500       1.151000      0.2391000    
 C   -4.465600      -1.310100     -5.7500001E-02
 C   -4.563800       1.102300      2.9600000E-02
 C   -5.203700     -0.1282000     -0.1187000    
 C    5.708700     -0.9704000      0.2996000    
 H    1.161700      -2.014200     -0.4356000    
 H   0.9863000       2.286000     -0.2767000    
 H    3.543300      -1.958200     -7.1300000E-02
 H    3.424500       2.371100      9.7400002E-02
 H   -2.521000      -2.188000      0.1990000    
 H   -2.696100       2.114700      0.3540000    
 H   -4.963900      -2.268100     -0.1728000    
 H   -5.138700       2.022500     -1.7999999E-02
 H   -6.276700     -0.1659000     -0.2818000    
 H    5.645500      -1.505800     -0.6538000    
 H    5.373000      -1.583300       1.143000    
 H    6.766600     -0.7446000      0.4697000    


%chk=000016966-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016966

0 1
O 5.191155 0.261905 0.076225
N -0.443139 0.594067 -0.018417
N -1.158160 -0.504824 0.008171
C 0.968178 0.390561 0.010269
C 3.793922 0.230026 0.057167
C 1.613853 -0.877038 0.061558
C 1.760022 1.573593 -0.016551
C 3.015912 -0.961868 0.084997
C 3.159836 1.499273 0.006765
C -2.575846 -0.290789 -0.021892
C -3.365227 -1.471029 0.008330
C -3.208660 0.984384 -0.078323
C -4.773036 -1.384142 -0.017265
C -4.613456 1.062163 -0.103457
C -5.401332 -0.117702 -0.073129
C 5.908973 -1.016913 0.120431
H 0.992645 -1.777882 0.082203
H 1.245592 2.539135 -0.055957
H 3.496669 -1.944028 0.125150
H 3.783971 2.397185 -0.013404
H -2.850370 -2.436649 0.051753
H -2.581958 1.881118 -0.101197
H -5.378094 -2.297064 0.006239
H -5.104274 2.041212 -0.147054
H -6.494688 -0.046994 -0.093040
H 5.681241 -1.635030 -0.768979
H 5.666144 -1.581220 1.041103
H 6.974425 -0.745348 0.121403


