%chk=000086622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086622

0 1
 O    7.474700      -1.829200     -4.1999999E-03
 O   -7.472700       1.827700     -4.1999999E-03
 N    7.066600      0.4928000     -1.4000000E-03
 N   -7.063500     -0.4943000     -1.5000000E-03
 N   0.6630000     -0.1818000      2.0999999E-03
 N  -0.6781000      0.1851000      2.0999999E-03
 C    5.674600      0.5845000      5.0000002E-04
 C   -5.671400     -0.5850000      3.9999999E-04
 C    2.890900      0.7686000      2.0000001E-03
 C   -2.905800     -0.7665000      2.3000001E-03
 C    5.058200       1.835900      8.9999998E-04
 C   -5.054300      -1.836100      7.9999998E-04
 C    4.898900     -0.5750000      6.9999998E-04
 C   -4.896400      0.5748000      1.0000000E-03
 C    3.666400       1.927900      1.7000000E-03
 C   -3.662500      -1.927400      1.7000000E-03
 C    3.507100     -0.4828000      1.5000000E-03
 C   -3.504500      0.4834000      1.9000000E-03
 C    1.439700      0.8643000      1.8000000E-03
 C   -1.436400     -0.8625000      2.3000001E-03
 C    7.857700     -0.6639000     -2.0000001E-03
 C   -7.855200      0.6620000     -2.0000001E-03
 C    9.329500     -0.3348000     -4.0000002E-03
 C   -9.326800      0.3323000     -4.3000001E-03
 H    5.650200       2.747700      3.0000001E-04
 H   -5.645800      -2.748200      9.9999997E-05
 H    5.303600      -1.577500      3.0000001E-04
 H   -5.301600       1.577100      7.9999998E-04
 H    3.200700       2.910100      1.8000000E-03
 H   -3.193500      -2.907200      1.8000000E-03
 H    2.927200      -1.402100      1.6000000E-03
 H   -2.923700       1.401300      2.2000000E-03
 H    7.560300       1.383000     -1.8000000E-03
 H   -7.556700      -1.384700     -2.0999999E-03
 H    1.004700       1.881300      1.7000000E-03
 H   -1.005200      -1.881400      2.4000001E-03
 H    9.582100      0.2224000     -0.9105000    
 H    9.915800      -1.257500      2.1400001E-02
 H    9.576700      0.2662000      0.8757000    
 H   -9.579300     -0.2234000     -0.9118000    
 H   -9.913500       1.254600      2.2800000E-02
 H   -9.573600     -0.2704000      0.8743000    


%chk=000086622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086622

0 1
O 7.666525 -1.834631 0.001421
O -7.664679 1.834246 0.001517
N 7.211406 0.471826 0.000603
N -7.210139 -0.472259 0.000631
N 0.689563 -0.193085 0.000614
N -0.687817 0.192094 0.000583
C 5.791318 0.502824 0.000663
C -5.789985 -0.503383 0.000678
C 2.947117 0.717375 0.000731
C -2.945668 -0.717938 0.000730
C 5.164322 1.780325 0.001057
C -5.163067 -1.780905 0.001076
C 4.986623 -0.673891 0.000329
C -4.985378 0.673348 0.000337
C 3.764233 1.883022 0.001062
C -3.763000 -1.883575 0.001074
C 3.588217 -0.555762 0.000372
C -3.586999 0.555206 0.000370
C 1.491566 0.858345 0.000766
C -1.490219 -0.859004 0.000750
C 8.070242 -0.637064 -0.000136
C -8.068704 0.636757 -0.000167
C 9.552439 -0.259543 -0.003854
C -9.551037 0.259665 -0.004101
H 5.777668 2.690896 0.001320
H -5.776401 -2.691471 0.001346
H 5.474795 -1.649628 0.000188
H -5.473570 1.649075 0.000207
H 3.293320 2.873501 0.001335
H -3.292139 -2.874099 0.001351
H 2.958902 -1.451471 0.000140
H -2.957707 1.450958 0.000133
H 7.667332 1.388077 0.000553
H -7.666143 -1.388473 0.000588
H 1.067261 1.878716 0.000899
H -1.066231 -1.879514 0.000941
H 9.819097 0.306073 -0.916077
H 10.148154 -1.182929 0.024613
H 9.813743 0.359512 0.874498
H -9.818076 -0.304006 -0.917418
H -10.146458 1.183177 0.026325
H -9.812330 -0.361090 0.873051


