%chk=000053312.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053312

0 1
 O    4.986500       0.000000       2.055000    
 O    2.883200      1.4000000E-03   2.684000    
 N   0.2257000      1.1000000E-03  -1.559500    
 N   -3.236900     -1.8000000E-03  0.8025000    
 N    3.760600      8.9999998E-04   1.787000    
 C  -0.9485000      1.9999999E-04 -0.7584000    
 C   -1.522200       1.214400     -0.3677000    
 C   -1.520200      -1.215000     -0.3680000    
 C   -2.682200       1.165800      0.4237000    
 C   -2.680400      -1.168500      0.4233000    
 C  -0.9690000       2.450200     -0.7457000    
 C  -0.9650000      -2.449800     -0.7464000    
 C    1.588600      1.3000000E-03  -1.234900    
 C   -3.258100       2.371300      0.8160000    
 C   -3.254300      -2.375000      0.8153000    
 C   -1.564100       3.641100     -0.3404000    
 C   -1.558100      -3.641900     -0.3413000    
 C   -2.711000       3.601200      0.4420000    
 C   -2.705100      -3.603900      0.4413000    
 C    1.996900      1.5000000E-03  0.1038000    
 C    2.555600      1.2000001E-03  -2.246700    
 C    3.353700      1.5000000E-03  0.4265000    
 C    3.912600      1.2000001E-03  -1.924100    
 C    4.311700      1.4000000E-03 -0.5875000    
 H   2.1299999E-02  3.1999999E-03  -2.554600    
 H  -7.5599998E-02   2.517600      -1.361100    
 H  -7.1500003E-02  -2.515700      -1.361800    
 H   -4.157400       2.366500       1.429300    
 H   -4.153600      -2.371700       1.428700    
 H   -1.135700       4.594300     -0.6346000    
 H   -1.128100      -4.594300     -0.6356000    
 H   -3.183500       4.524700      0.7635000    
 H   -3.176100      -4.528200      0.7626000    
 H    1.244100      1.5000000E-03  0.8887000    
 H    2.260000      1.0000000E-03  -3.293000    
 H    4.658200      1.1000000E-03  -2.713900    
 H    5.377600      1.3000000E-03 -0.3738000    


%chk=000053312-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053312

0 1
O 4.890171 -0.012462 2.152322
O 2.678352 -0.011780 2.699335
N 0.225486 0.004639 -1.742106
N -3.215231 -0.000829 0.869721
N 3.637905 -0.009049 1.834918
C -0.905469 0.002780 -0.850638
C -1.476177 1.233316 -0.417953
C -1.471068 -1.229539 -0.416282
C -2.650350 1.175314 0.452574
C -2.645237 -1.175190 0.454479
C -0.954577 2.519420 -0.797712
C -0.944532 -2.513984 -0.794812
C 1.564800 0.002056 -1.330903
C -3.248270 2.407377 0.895944
C -3.237862 -2.409105 0.899806
C -1.559158 3.687830 -0.345142
C -1.544129 -3.684254 -0.340437
C -2.717296 3.632562 0.507433
C -2.701984 -3.632611 0.512749
C 1.918102 -0.002319 0.045322
C 2.604801 0.003970 -2.309832
C 3.283291 -0.004522 0.390010
C 3.958614 0.001684 -1.923115
C 4.326714 -0.002662 -0.560466
H 0.037212 0.009095 -2.745528
H -0.068632 2.558267 -1.439450
H -0.059038 -2.550048 -1.437316
H -4.124790 2.330885 1.546237
H -4.114463 -2.335343 1.550305
H -1.151837 4.662958 -0.633429
H -1.133127 -4.658082 -0.627884
H -3.175830 4.565883 0.851423
H -3.156523 -4.567348 0.858193
H 1.164247 -0.003846 0.836002
H 2.342222 0.007300 -3.374920
H 4.736081 0.003277 -2.694072
H 5.367281 -0.004540 -0.230577


