%chk=000087218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087218

0 1
 O    1.511500       4.499600     -0.2300000    
 N    4.736700      -1.739500      9.3300000E-02
 N   -5.162700      -1.188500      6.9700003E-02
 C  -6.1700001E-02   1.247000     -7.1900003E-02
 C    1.212600      0.4546000     -2.8500000E-02
 C   -1.374100      0.6211000     -3.5000000E-02
 C    3.539900     -0.9950000      5.2099999E-02
 C   -3.890300     -0.5815000      3.4400001E-02
 C    1.764000      4.2700000E-02  -1.215500    
 C   -2.002600      0.3889000       1.188400    
 C    1.765300      0.1788000       1.196600    
 C   -2.003800      0.2522000      -1.223700    
 C    2.947600     -0.6944000      -1.174500    
 C   -3.260700     -0.2125000       1.223100    
 C    2.948700     -0.5583000       1.237600    
 C   -3.262000     -0.3491000      -1.189000    
 C   0.1016000       2.598600     -0.1389000    
 C    5.029000      -2.717200     -0.9362000    
 C    5.697200      -1.527000       1.157900    
 C   -6.093900     -0.8801000       1.136700    
 C   -5.561300      -2.118500     -0.9683000    
 C    1.418900       3.278200     -0.1785000    
 H    1.311100      0.2749000      -2.174700    
 H   -1.524600      0.6685000       2.124300    
 H    1.310700      0.5129000       2.124500    
 H   -1.529200      0.4292000      -2.185900    
 H    3.388400      -1.008500      -2.116300    
 H   -3.717100     -0.3899000       2.192700    
 H    3.378000     -0.7853000       2.209400    
 H   -3.729700     -0.6127000      -2.133300    
 H  -0.7647000       3.254400     -0.1689000    
 H    4.141100      -3.305200      -1.195200    
 H    5.790300      -3.429700     -0.5992000    
 H    5.411600      -2.228300      -1.838300    
 H    5.386700      -2.047400       2.070000    
 H    5.822700     -0.4608000       1.377900    
 H    6.685900      -1.909900      0.8807000    
 H   -6.103100      0.1921000       1.363800    
 H   -7.118500      -1.151300      0.8582000    
 H   -5.841800      -1.437300       2.045000    
 H   -5.883000      -1.582200      -1.867200    
 H   -4.745700      -2.802100      -1.229900    
 H   -6.400100      -2.742100     -0.6389000    
 H    2.324400       2.657200     -0.1614000    


%chk=000087218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087218

0 1
O 1.316835 4.720516 -1.043185
N 4.760979 -1.822947 0.582178
N -5.186042 -1.182100 -0.083293
C 0.007210 1.335391 -0.317498
C 1.223320 0.515633 -0.073623
C -1.316441 0.666164 -0.282309
C 3.607651 -1.064276 0.372336
C -3.926397 -0.584113 -0.150313
C 1.381294 -0.776005 -0.654270
C -1.555851 -0.482539 0.527432
C 2.284423 0.983268 0.754544
C -2.422683 1.160984 -1.034683
C 2.538509 -1.544454 -0.453673
C -2.817749 -1.091684 0.602397
C 3.440667 0.221246 0.983089
C -3.688408 0.560861 -0.980251
C 0.081927 2.709827 -0.547302
C 4.897881 -3.145722 -0.040889
C 5.846542 -1.294759 1.418830
C -5.395471 -2.363882 0.763409
C -6.311248 -0.618586 -0.841352
C 1.289189 3.456413 -0.884705
H 0.587551 -1.168379 -1.300002
H -0.737065 -0.885117 1.133721
H 2.174204 1.947930 1.262366
H -2.273121 2.017981 -1.701124
H 2.616134 -2.517425 -0.946767
H -2.946377 -1.957679 1.257604
H 4.211456 0.622901 1.646541
H -4.493634 0.973405 -1.594454
H -0.837168 3.309472 -0.535066
H 4.092771 -3.837258 0.280618
H 5.861803 -3.590339 0.252064
H 4.873346 -3.085082 -1.148194
H 5.518301 -1.127695 2.465128
H 6.236540 -0.334033 1.026433
H 6.679206 -2.015196 1.436746
H -5.200531 -2.145245 1.833262
H -6.439882 -2.700614 0.671277
H -4.738703 -3.204792 0.462143
H -6.517738 0.431030 -0.549874
H -6.123396 -0.638698 -1.934122
H -7.218936 -1.209914 -0.643466
H 2.212401 2.852112 -1.054602


