%chk=000173270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000173270

0 1
 O   -1.721000      0.2698000      -1.868100    
 O    4.789100       3.144800      0.7936000    
 N  -0.1609000      -1.620600     -0.3582000    
 C   0.7998000      -1.956600      0.6928000    
 C    2.055400      -2.621400      9.8200001E-02
 C    2.763400      -1.807800     -0.9956000    
 C   -1.317400     -0.9390000      0.2010000    
 C   0.1381000      -2.883200       1.713400    
 C   -2.326100     -0.5845000     -0.8984000    
 C    3.305300     -0.4842000     -0.5178000    
 C   -3.536200      0.1257000     -0.3323000    
 C    2.501900      0.6439000     -0.5843000    
 C    4.597300     -0.4173000     -1.8900000E-02
 C   -4.626000     -0.6210000      8.1200004E-02
 C   -3.527900       1.506800     -0.2399000    
 C    3.002600       1.868300     -0.1416000    
 C    5.098000      0.8070000      0.4238000    
 C    4.300500       1.949900      0.3624000    
 C   -5.741700      3.3500001E-02  0.6031000    
 C   -4.643700       2.161300      0.2820000    
 C   -5.750600       1.424700      0.7036000    
 H    1.112000      -1.046600       1.219200    
 H    2.767000      -2.827700      0.9086000    
 H    1.782400      -3.596000     -0.3284000    
 H  -0.4581000      -2.467200     -0.8426000    
 H    2.095400      -1.646700      -1.851300    
 H    3.591900      -2.407500      -1.395600    
 H   -1.847000      -1.553600      0.9356000    
 H  -0.9866000     -1.8600000E-02  0.6993000    
 H   -2.642800      -1.492200      -1.428000    
 H  -0.3804000      -3.720600       1.232600    
 H   0.8949000      -3.313600       2.380100    
 H  -0.5680000      -2.357100       2.363400    
 H    1.494800      0.6005000     -0.9867000    
 H    5.225300      -1.301900      3.5399999E-02
 H   -4.626900      -1.704600      8.3999997E-03
 H   -2.673300       2.102600     -0.5460000    
 H   -2.369000      0.4205000      -2.577900    
 H    2.372200       2.751600     -0.1975000    
 H    6.109700      0.8642000      0.8160000    
 H   -6.603200     -0.5402000      0.9321000    
 H   -4.649500       3.244300      0.3638000    
 H   -6.618800       1.934200       1.111000    
 H    4.103800       3.825500      0.6782000    


%chk=000173270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173270

0 1
O -0.988851 0.714060 0.109541
O 5.337655 3.030805 -0.237117
N -0.521008 -2.268654 0.246078
C 0.684838 -1.952220 1.060777
C 1.932032 -2.527601 0.342462
C 2.279154 -1.816765 -0.998718
C -1.771699 -1.546485 0.527872
C 0.595870 -2.493043 2.513127
C -1.975183 -0.290940 -0.358769
C 3.055568 -0.519129 -0.816935
C -3.396026 0.250865 -0.262159
C 2.397982 0.709006 -0.546547
C 4.475214 -0.511053 -0.884692
C -4.332814 -0.000708 -1.295488
C -3.809526 0.987341 0.878837
C 3.130195 1.901476 -0.348326
C 5.221426 0.669360 -0.689943
C 4.543078 1.878864 -0.420242
C -5.661915 0.468331 -1.191394
C -5.136976 1.458367 0.983176
C -6.067741 1.199344 -0.050623
H 0.761135 -0.851219 1.096975
H 2.802939 -2.478131 1.024892
H 1.745180 -3.605702 0.146067
H -0.661166 -3.284558 0.176081
H 1.325260 -1.637569 -1.529984
H 2.876979 -2.509898 -1.621531
H -2.627376 -2.219147 0.329375
H -1.859651 -1.217639 1.588572
H -1.744652 -0.577296 -1.406196
H 0.608904 -3.601078 2.520108
H 1.449253 -2.139260 3.121402
H -0.333631 -2.157809 3.010070
H 1.303037 0.729161 -0.483833
H 5.006629 -1.446968 -1.098658
H -4.019111 -0.561082 -2.185509
H -3.082420 1.194181 1.672133
H -1.180415 1.571753 -0.349299
H 2.602199 2.842315 -0.139399
H 6.314205 0.674624 -0.746906
H -6.376419 0.270970 -1.998516
H -5.446829 2.027296 1.867283
H -7.096778 1.567347 0.029477
H 4.767155 3.817891 -0.053820


