%chk=000042642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042642

0 1
 O   0.6585000      0.3283000     -0.6322000    
 O    1.161400       1.231100       1.442500    
 O    4.420200     -0.7629000      -1.120700    
 N    2.857000      0.2407000      0.2047000    
 N    3.223700     -0.4605000      -1.055500    
 C   -1.137400      -1.499300      0.6322000    
 C   -1.906200      -2.643700     -5.9500001E-02
 C   -1.560600     -0.1210000      0.1541000    
 C   -1.280300      -1.606600       2.155300    
 C  -0.6366000      0.7104000     -0.4499000    
 C   -1.663400      -2.704200      -1.562700    
 C   -2.875300      0.2632000      0.3412000    
 C   -1.042000       1.972800     -0.8830000    
 C   -3.280500       1.525700     -9.2000000E-02
 C   -2.363900       2.380500     -0.7040000    
 C    1.540600      0.6476000      0.4279000    
 C    3.884800      0.4977000       1.201600    
 H  -7.5599998E-02  -1.666400      0.4157000    
 H   -2.984000      -2.568200      0.1263000    
 H   -1.585500      -3.599800      0.3736000    
 H   -2.325600      -1.555400       2.478300    
 H  -0.8728000      -2.559000       2.512200    
 H  -0.7335000     -0.8021000       2.659900    
 H   -2.164700      -3.579400      -1.988400    
 H   -2.055300      -1.817600      -2.070300    
 H  -0.5946000      -2.786000      -1.784500    
 H   -3.604600     -0.3859000      0.8154000    
 H  -0.3336000       2.644000      -1.361200    
 H   -4.309700       1.843400      4.7300000E-02
 H   -2.679500       3.363400      -1.041200    
 H    4.666300       1.120800      0.7565000    
 H    4.310300     -0.4555000       1.529700    
 H    3.477800       1.017200       2.073200    


%chk=000042642-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042642

0 1
O 0.714317 0.516768 -0.587805
O 1.201136 0.892740 1.684433
O 4.403365 -0.406863 -1.332294
N 2.882269 0.241936 0.180814
N 3.172150 -0.130167 -1.169890
C -1.102502 -1.473815 0.695120
C -1.851519 -2.654360 0.009489
C -1.567357 -0.114755 0.167751
C -1.248546 -1.536749 2.239789
C -0.686614 0.834230 -0.401840
C -1.636902 -2.724972 -1.517225
C -2.934595 0.264962 0.232955
C -1.107336 2.079995 -0.903321
C -3.387521 1.509939 -0.251737
C -2.473385 2.423047 -0.827643
C 1.542247 0.581195 0.524133
C 3.945859 0.271623 1.204009
H -0.029950 -1.595252 0.447825
H -2.935068 -2.585126 0.234181
H -1.499338 -3.594793 0.478638
H -2.309821 -1.456643 2.541198
H -0.859371 -2.497656 2.624939
H -0.691587 -0.713720 2.720089
H -2.157196 -3.598073 -1.951535
H -2.020532 -1.817702 -2.017989
H -0.562181 -2.813175 -1.763968
H -3.655819 -0.435126 0.670410
H -0.370291 2.756619 -1.346548
H -4.450198 1.767083 -0.185199
H -2.817024 3.388487 -1.213031
H 4.735369 0.980391 0.901667
H 4.401380 -0.728625 1.300216
H 3.491960 0.581855 2.154869


