%chk=000087294.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087294

0 1
 O   0.8511000      -1.594000     -0.4162000    
 N    5.363000      4.7200002E-02  6.0400002E-02
 N   -3.265500     -0.9176000      0.2839000    
 N   -3.180800       1.213100     -0.3430000    
 N   -1.258200      -2.456600     -0.6869000    
 C    3.971400      0.2771000      8.4100001E-02
 C    1.210000      0.7469000      0.1344000    
 C    1.717100     -0.5175000     -0.1473000    
 C    5.964700     -0.9065000      0.9709000    
 C    6.210700      0.7719000     -0.8650000    
 C    3.087700     -0.7679000     -0.1762000    
 C   -1.061500     -8.1799999E-02 -0.1065000    
 C    3.480600       1.553100      0.3691000    
 C  -0.2316000      0.9402000      0.1508000    
 C    2.103000       1.789200      0.3947000    
 C   -2.473800      0.1373000     -7.6700002E-02
 C  -0.5244000      -1.429000     -0.4152000    
 C   -4.569500     -0.4946000      0.2476000    
 C   -4.490000      0.8382000     -0.1463000    
 C    6.193200     -0.2990000       2.339600    
 C    6.188800      0.1460000      -2.244300    
 C   -5.774800      -1.143800      0.5172000    
 C   -5.673400       1.583200     -0.2844000    
 C   -6.942700     -0.3872000      0.3745000    
 C   -6.895100      0.9520000     -1.8999999E-02
 H    5.345800      -1.805900       1.070400    
 H    6.926000      -1.253500      0.5723000    
 H    5.912700       1.824300     -0.9380000    
 H    7.244900      0.7841000     -0.4990000    
 H    3.451100      -1.764700     -0.4100000    
 H    4.157400       2.375700      0.5858000    
 H  -0.6011000       1.935100      0.3825000    
 H    1.741600       2.789200      0.6216000    
 H   -2.960500      -1.845900      0.5460000    
 H    6.832800      0.5877000       2.275500    
 H    5.248600      3.1999999E-03   2.803900    
 H    6.678900      -1.022400       3.001700    
 H    6.510400     -0.9002000      -2.207300    
 H    5.183300      0.1714000      -2.677100    
 H    6.860900      0.6856000      -2.918800    
 H   -5.809100      -2.183400      0.8224000    
 H   -5.647100       2.624400     -0.5896000    
 H   -7.905400     -0.8515000      0.5739000    
 H   -7.820000       1.514100     -0.1212000    
 H  -0.6465000      -3.261100     -0.8637000    


%chk=000087294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087294

0 1
O 0.882510 -1.552951 0.648979
N 5.392151 0.092080 -0.036462
N -3.444307 -1.021568 0.488049
N -3.213471 1.108291 -0.334359
N -1.256968 -2.461804 1.027001
C 4.014113 0.291758 -0.099862
C 1.155785 0.720515 -0.240541
C 1.722115 -0.502461 0.227754
C 5.968756 -1.211172 0.358603
C 6.351744 1.170853 -0.358088
C 3.098791 -0.730128 0.309992
C -1.115349 -0.174752 0.134444
C 3.459215 1.533156 -0.581636
C -0.272034 0.852460 -0.276089
C 2.077472 1.731003 -0.641665
C -2.566314 -0.009820 0.087881
C -0.545939 -1.438215 0.620354
C -4.740818 -0.541273 0.320533
C -4.578117 0.799211 -0.197572
C 6.114704 -1.384486 1.888586
C 6.691299 1.267751 -1.863703
C -6.012063 -1.107936 0.554315
C -5.719807 1.586000 -0.485648
C -7.133494 -0.304445 0.259468
C -6.989489 1.021466 -0.252306
H 5.356868 -2.028432 -0.065679
H 6.963581 -1.294943 -0.117339
H 5.960845 2.136087 0.012223
H 7.276731 0.975795 0.216002
H 3.435851 -1.689606 0.706232
H 4.118899 2.334629 -0.921744
H -0.736948 1.778379 -0.631407
H 1.683931 2.683698 -1.014285
H -3.046889 -1.919557 0.831422
H 6.769252 -0.601459 2.312025
H 5.136333 -1.316926 2.394702
H 6.560247 -2.368555 2.124266
H 7.130947 0.322210 -2.229046
H 5.788990 1.474623 -2.464788
H 7.422302 2.077681 -2.043318
H -6.129545 -2.123440 0.946343
H -5.604819 2.601202 -0.877782
H -8.139733 -0.705295 0.426297
H -7.889551 1.608574 -0.466906
H -0.693080 -3.272099 1.336255


