%chk=000045390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045390

0 1
 O  -0.5827000     -3.5700001E-02  0.9566000    
 O    6.477000     -0.3386000     -0.3554000    
 N    2.900700      0.4987000     -0.1149000    
 C    1.775200     -0.1441000      0.5468000    
 C   0.4935000      0.6376000      0.3066000    
 C    4.125400     -0.2673000      7.6099999E-02
 C   -1.822000      0.1044000      0.4080000    
 C   -2.533800      -1.008400     -4.0199999E-02
 C    5.304300      0.4327000     -0.5808000    
 C   -2.378100       1.378900      0.2972000    
 C   -3.801600     -0.8466000     -0.5990000    
 C   -1.954500      -2.380100      7.0299998E-02
 C   -3.645900       1.540600     -0.2616000    
 C   -4.357600      0.4280000     -0.7097000    
 H    1.950100     -0.2270000       1.626900    
 H    1.639500      -1.166800      0.1728000    
 H   0.3042000      0.7174000     -0.7724000    
 H   0.5778000       1.648500      0.7229000    
 H    3.021900       1.442700      0.2509000    
 H    4.023400      -1.272400     -0.3517000    
 H    4.339900     -0.4018000       1.144000    
 H    5.460300       1.429300     -0.1543000    
 H    5.153800      0.5283000      -1.661400    
 H   -1.839900       2.254500      0.6497000    
 H   -4.369400      -1.702900     -0.9530000    
 H   -1.025500      -2.447500     -0.5056000    
 H   -1.745700      -2.621600       1.117700    
 H   -2.637300      -3.145300     -0.3142000    
 H   -4.079700       2.532600     -0.3460000    
 H   -5.344800      0.5540000      -1.144300    
 H    7.213100      0.1296000     -0.7849000    


%chk=000045390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045390

0 1
O -0.502897 -0.605710 0.078745
O 6.743525 0.158899 -0.210621
N 3.049564 0.483869 0.112267
C 1.897926 -0.441993 0.156869
C 0.605052 0.348435 -0.074858
C 4.374622 -0.168994 0.022266
C -1.815662 -0.124797 -0.090802
C -2.841090 -1.100809 0.086639
C 5.464146 0.885664 -0.200779
C -2.126940 1.218386 -0.410366
C -4.181129 -0.681262 -0.067751
C -2.478227 -2.531005 0.429205
C -3.479518 1.604960 -0.558004
C -4.511080 0.658627 -0.387647
H 1.808587 -1.012817 1.111237
H 2.014656 -1.184569 -0.653393
H 0.604432 0.791401 -1.089739
H 0.501407 1.166507 0.670650
H 3.017235 1.158196 0.890607
H 4.367013 -0.859375 -0.840942
H 4.642587 -0.771732 0.922219
H 5.442828 1.636085 0.621806
H 5.279308 1.410689 -1.160032
H -1.336039 1.961579 -0.547468
H -4.979981 -1.420794 0.065985
H -1.836282 -2.978230 -0.352098
H -1.899929 -2.581277 1.370216
H -3.383179 -3.152771 0.538820
H -3.718436 2.645155 -0.806385
H -5.559293 0.954699 -0.501273
H 7.478394 0.784683 -0.428274


