%chk=000129013.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129013

0 1
 O  -0.3403000      -1.508200      0.6146000    
 O    3.317800       2.239000     -0.4058000    
 N    2.172800      -2.364700      0.2020000    
 N    4.174500     -0.3418000     -0.3539000    
 N   -2.194400      0.3349000      0.8169000    
 N   0.8192000       3.063400      5.2999998E-03
 N   -1.483200       2.543100      0.4937000    
 N   -4.858700     -0.8053000      -1.182100    
 C    3.291000      -2.797400       1.034200    
 C    1.882700      -3.042200       1.461800    
 C    4.781100      0.2683000      -1.533100    
 C    4.499700      -1.196400      -1.491800    
 C    1.919700      -1.020600      0.1380000    
 C    2.851300     -8.1000000E-02 -0.1208000    
 C   0.4940000     -0.6406000      0.3802000    
 C    2.486600       1.367800     -0.1727000    
 C   0.1442000      0.7803000      0.3277000    
 C    1.090100       1.742500      6.4199999E-02
 C   -1.143900       1.237400      0.5379000    
 C   -3.540500      0.7589000       1.041200    
 C   -4.460900     -0.4453000       1.237300    
 C   -4.468300      -1.438900      7.1500003E-02
 C  -0.4689000       3.388400      0.2267000    
 C   -6.227900     -0.2938000      -1.096800    
 C   -4.737800      -1.747700      -2.296000    
 H    3.847600      -3.617900      0.6062000    
 H    3.843700      -2.059300       1.597400    
 H    1.494400      -2.443900       2.274000    
 H    1.466100      -4.029200       1.325800    
 H    4.168000      0.8454000      -2.210900    
 H    5.793800      0.6030000      -1.365300    
 H    5.319100      -1.871900      -1.295500    
 H    3.677200      -1.570200      -2.085000    
 H   -1.913100     -0.5475000       1.231600    
 H   -3.899600       1.367100      0.2029000    
 H   -3.589700       1.384700       1.940400    
 H   -4.130100     -0.9922000       2.131000    
 H   -5.473400     -9.8700002E-02   1.472500    
 H   -5.139400      -2.272500      0.3187000    
 H   -3.465100      -1.872100     -2.8200001E-02
 H  -0.7158000       4.442200      0.1857000    
 H   -6.548500      9.6799999E-02  -2.070300    
 H   -6.943900      -1.067000     -0.7950000    
 H   -6.307500      0.5526000     -0.4081000    
 H   -4.984700      -1.257400      -3.244300    
 H   -3.705600      -2.103600      -2.388700    
 H   -5.394000      -2.617400      -2.175000    


%chk=000129013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129013

0 1
O -0.225026 -1.544651 0.962524
O 3.320185 2.292360 -0.782425
N 2.429992 -2.289992 0.488303
N 4.239514 -0.348456 -0.476970
N -2.183409 0.283017 0.962299
N 0.667476 3.047336 -0.355009
N -1.614786 2.474890 0.319221
N -5.192730 -0.600136 -1.123255
C 3.546662 -2.717744 1.391765
C 2.101089 -3.139865 1.661643
C 5.034168 0.105959 -1.647673
C 4.698698 -1.375885 -1.467662
C 2.014607 -0.965120 0.297558
C 2.901659 -0.011418 -0.228261
C 0.595280 -0.631884 0.548704
C 2.493280 1.403511 -0.411539
C 0.141740 0.749443 0.317045
C 1.039728 1.752640 -0.134250
C -1.235099 1.156927 0.537942
C -3.596686 0.641298 1.184942
C -4.460079 -0.629587 1.293294
C -4.577579 -1.403473 -0.041186
C -0.655173 3.324215 -0.107610
C -6.641607 -0.384167 -0.941367
C -4.880977 -1.126371 -2.467662
H 4.250872 -3.437411 0.963663
H 3.988994 -1.954457 2.041661
H 1.570846 -2.674545 2.498485
H 1.780809 -4.158359 1.422575
H 4.515476 0.665657 -2.432302
H 6.040231 0.466624 -1.414264
H 5.467290 -2.067129 -1.108798
H 3.941261 -1.814063 -2.127625
H -1.835501 -0.678155 1.131505
H -3.946564 1.260385 0.341288
H -3.683996 1.252553 2.105178
H -4.044941 -1.312251 2.062985
H -5.463343 -0.335137 1.653310
H -5.141235 -2.355592 0.141260
H -3.564240 -1.695461 -0.377213
H -0.966837 4.360123 -0.278086
H -7.020156 0.272115 -1.745084
H -7.232202 -1.336330 -0.963563
H -6.841937 0.118626 0.020360
H -5.277350 -0.438463 -3.236189
H -3.786199 -1.188743 -2.598466
H -5.312806 -2.141733 -2.660953


