%chk=000170243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170243

0 1
 O   -5.848900      0.5478000     -0.2154000    
 O    5.877100     -0.3209000     -0.1209000    
 O   4.2100001E-02  -1.191000       1.134800    
 N  -0.3657000     -0.3130000      0.2983000    
 N   0.3848000      0.3962000     -0.4597000    
 C   -1.798200     -8.8100001E-02  0.1644000    
 C    1.769000      0.2164000     -0.3750000    
 C   -2.242500       1.163500     -0.2052000    
 C   -2.661100      -1.134500      0.4114000    
 C   -4.510000      0.3376000     -8.9699998E-02
 C   -3.614700       1.379000     -0.3337000    
 C   -4.033300     -0.9192000      0.2829000    
 C    2.400900     -0.7250000      -1.187300    
 C    2.517700      0.9771000      0.5232000    
 C    4.529900     -0.1453000     -0.2033000    
 C    3.781300     -0.9059000      -1.101600    
 C    3.898200      0.7962000      0.6090000    
 C   -6.707800     -0.5605000      4.9100000E-02
 C    6.581200      0.4897000      0.8186000    
 H   -1.566700       1.993200     -0.3884000    
 H   -2.306000      -2.120800      0.6944000    
 H   -3.980600       2.360900     -0.6216000    
 H   -4.672400      -1.771800      0.4855000    
 H    1.826000      -1.322500      -1.890000    
 H    2.033100       1.712800       1.159900    
 H    4.268000      -1.640700      -1.737200    
 H    4.418500       1.420200       1.327600    
 H   -6.540600      -1.377500     -0.6610000    
 H   -7.736200     -0.2147000     -9.8099999E-02
 H   -6.627900     -0.8922000       1.089900    
 H    6.263100      0.2835000       1.846200    
 H    6.508100       1.553300      0.5669000    
 H    7.639600      0.2175000      0.7511000    


%chk=000170243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170243

0 1
O -5.937480 -0.060486 -0.811774
O 6.037747 0.438600 -0.377514
O -0.108018 -0.453768 1.777634
N -0.425432 -0.136417 0.527791
N 0.407632 0.168727 -0.456611
C -1.849271 -0.116907 0.180618
C 1.803237 0.187007 -0.256406
C -2.280743 0.202092 -1.131894
C -2.781521 -0.425282 1.192505
C -4.599016 -0.099562 -0.408738
C -3.652140 0.209375 -1.421981
C -4.161049 -0.417498 0.902299
C 2.525077 0.546611 -1.442365
C 2.549235 -0.098288 0.931294
C 4.647730 0.335559 -0.264577
C 3.919851 0.621487 -1.451928
C 3.956875 -0.023217 0.920122
C -6.961670 -0.370797 0.191277
C 6.843764 0.154944 0.814631
H -1.536651 0.436953 -1.895238
H -2.409979 -0.666198 2.191460
H -4.018644 0.450732 -2.423910
H -4.874360 -0.656843 1.695826
H 1.946056 0.762054 -2.345759
H 2.017629 -0.372199 1.842015
H 4.472717 0.895896 -2.354926
H 4.501478 -0.247118 1.842381
H -6.844325 -1.401308 0.578144
H -7.919471 -0.280217 -0.340968
H -6.930322 0.349609 1.031135
H 6.694971 -0.885986 1.160405
H 6.605720 0.858410 1.635433
H 7.886372 0.295337 0.494719


