%chk=000086835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086835

0 1
 O    2.235500       2.381700      0.1916000    
 N    3.472300      0.6357000     -0.7836000    
 N    3.483200     -0.7273000     -0.7953000    
 N   0.4111000      2.3300000E-02  7.8800000E-02
 N    2.168900      -2.408500      0.2833000    
 N  -0.4438000      2.9000000E-03  0.9943000    
 C    1.767900      2.8300000E-02  0.5990000    
 C    2.520700      -1.123400     -1.4500000E-02
 C    2.486100       1.202700      1.3900000E-02
 C   -1.737600      9.9999997E-05  0.4468000    
 C   -2.363700      -1.208900      0.1600000    
 C   -2.383700       1.206600      0.1952000    
 C   -3.648300      -1.211700     -0.3836000    
 C   -3.668200       1.203900     -0.3483000    
 C   -4.300600     -5.2999998E-03 -0.6377000    
 H    1.857800      1.5600000E-02   1.690400    
 H    4.153300       1.135700      -1.342300    
 H    2.668100      -3.195300     -0.1170000    
 H    1.398900      -2.618500      0.9096000    
 H   -1.862800      -2.153400      0.3554000    
 H   -1.898600       2.153200      0.4182000    
 H   -4.140600      -2.153200     -0.6088000    
 H   -4.176300       2.143200     -0.5462000    
 H   -5.300800     -7.4000000E-03  -1.060900    


%chk=000086835-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086835

0 1
O 2.010827 1.958503 1.713819
N 3.658459 1.007095 0.288341
N 3.881474 -0.152825 -0.533031
N 0.442465 -0.130208 -0.029655
N 2.601249 -2.108073 -0.999655
N -0.518145 -0.444125 0.793603
C 1.768293 -0.320310 0.596525
C 2.791346 -0.899893 -0.374067
C 2.448326 1.055047 0.959959
C -1.845014 -0.233958 0.278939
C -2.891365 -0.648710 1.142531
C -2.145959 0.353761 -0.982072
C -4.236504 -0.488870 0.748097
C -3.490359 0.510191 -1.366756
C -4.538218 0.089414 -0.507064
H 1.689724 -0.912944 1.531753
H 4.379647 1.725401 0.302598
H 3.303612 -2.450801 -1.652447
H 1.691933 -2.560209 -0.964582
H -2.622752 -1.084796 2.110488
H -1.322942 0.680552 -1.625370
H -5.044149 -0.807623 1.415472
H -3.731311 0.964804 -2.334229
H -5.581837 0.218577 -0.814897


