%chk=000131433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131433

0 1
 O   -1.639700       1.820100      -1.074100    
 O   -4.071300       3.340600      0.3641000    
 O   -1.927500       3.613300       2.026000    
 O   0.9808000       2.866300      -1.193500    
 O    1.023800      -1.615600      0.8869000    
 N   -3.124700      1.4600000E-02 -0.6616000    
 N   -4.058600      -2.003600     -0.8426000    
 N  -0.9229000     -0.6186000      0.1467000    
 N  -0.7269000      -3.039600      0.3852000    
 N   -2.525100      -4.531300     -0.1323000    
 C   -3.308400       2.161900      0.6165000    
 C   -2.993100       1.471700     -0.7118000    
 C   -1.931400       2.503400       1.154000    
 C   -1.146200       2.772500     -0.1180000    
 C   0.3532000       2.603300      4.9199998E-02
 C   -2.171300     -0.8823000     -0.2678000    
 C   -4.240100     -0.7085000     -0.9965000    
 C   -2.769700      -2.126400     -0.3877000    
 C   -1.998100      -3.231400     -4.2399999E-02
 C  -0.2751000      -1.763900      0.4523000    
 C    1.914000      -2.682300      0.5967000    
 C    3.297100      -2.366000       1.154900    
 C    3.896600      -1.127200      0.5349000    
 C    4.670600      -1.246300     -0.6084000    
 C    3.662700      0.1069000       1.120600    
 C    4.998100       1.147400     -0.6030000    
 C    5.224900     -0.1016000      -1.181100    
 C    4.217000       1.251600      0.5479000    
 C    5.591100       2.371200      -1.215100    
 H   -3.884600       1.549300       1.317500    
 H   -3.645200       1.814400      -1.523800    
 H   -1.525500       1.634800       1.685900    
 H   -1.356600       3.774200     -0.5145000    
 H   0.6233000       1.587500      0.3503000    
 H   0.7527000       3.303200      0.7888000    
 H   -4.922100       3.059800     -1.4200000E-02
 H   -1.006000       3.783800       2.284300    
 H   -5.150600     -0.2384000      -1.342400    
 H   0.6243000       2.234800      -1.841500    
 H   -3.473700      -4.677200     -0.4502000    
 H   -1.944800      -5.318000      0.1251000    
 H    1.566100      -3.608400       1.070600    
 H    1.965000      -2.836200     -0.4886000    
 H    3.233600      -2.223000       2.241500    
 H    3.966400      -3.220500      0.9967000    
 H    4.850700      -2.214300      -1.067000    
 H    3.055000      0.1999000       2.016200    
 H    5.829700     -0.1958000      -2.079200    
 H    4.030300       2.219500       1.005600    
 H    5.833600       3.116400     -0.4499000    
 H    6.522600       2.139300      -1.742700    
 H    4.886800       2.814100      -1.926400    


%chk=000131433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131433

0 1
O -2.028374 2.376075 -0.937175
O -4.250614 2.844513 1.299705
O -1.974538 3.400007 2.518039
O 0.674904 3.325893 -1.286128
O 0.741577 -1.500431 1.653954
N -2.977173 0.156474 -0.826078
N -3.280675 -1.768982 -2.050058
N -1.052146 -0.562872 0.575885
N -0.352861 -2.862546 0.064115
N -1.434951 -4.207009 -1.546304
C -3.244928 1.811331 1.084602
C -3.150771 1.563671 -0.440449
C -1.835070 2.350275 1.490408
C -1.282431 2.995719 0.202498
C 0.207232 2.733619 -0.029293
C -2.008937 -0.750329 -0.374373
C -3.700747 -0.513633 -1.838108
C -2.216294 -1.928526 -1.140435
C -1.333999 -3.016541 -0.881252
C -0.261978 -1.668197 0.720194
C 1.805939 -2.535290 1.763214
C 3.112420 -1.803894 2.126756
C 3.664186 -0.950884 0.991646
C 4.767359 -1.387050 0.216267
C 3.061437 0.288815 0.654044
C 4.639486 0.622049 -1.207300
C 5.247674 -0.612008 -0.864426
C 3.532851 1.057498 -0.431681
C 5.167242 1.468076 -2.353879
H -3.519194 0.890922 1.633190
H -4.080067 1.917421 -0.919309
H -1.198904 1.514751 1.829023
H -1.499717 4.080178 0.196809
H 0.384004 1.639789 -0.009949
H 0.799326 3.222382 0.764227
H -3.846258 3.493256 1.945480
H -1.777431 3.025139 3.411449
H -4.514337 -0.025648 -2.371249
H 0.099767 2.967772 -2.010683
H -2.156762 -4.326422 -2.254179
H -0.777274 -4.954817 -1.337735
H 1.502266 -3.240049 2.559869
H 1.881859 -3.080769 0.808317
H 2.923773 -1.188027 3.026648
H 3.850058 -2.578487 2.413681
H 5.254848 -2.340863 0.457004
H 2.203816 0.635578 1.240275
H 6.104559 -0.969983 -1.448963
H 3.032586 1.999710 -0.689357
H 5.887028 2.227143 -1.989894
H 5.690611 0.852368 -3.106754
H 4.350425 2.012231 -2.860190


