%chk=000088388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088388

0 1
 O    2.505600      0.8423000       1.175200    
 N   -3.144400      0.6568000      0.1788000    
 N    1.139000      0.1044000     -0.5539000    
 C   -1.057600     -0.7674000      0.2676000    
 C   -2.405700     -0.3598000      0.9228000    
 C  -0.1182000      0.4446000      5.6100000E-02
 C  -0.3737000      -1.807200       1.180200    
 C   -1.303200      -1.431000      -1.103400    
 C   -3.513300      0.1567000      -1.145800    
 C   -2.352600       1.881400      5.8699999E-02
 C    2.358400      0.3361000      6.7400001E-02
 C    3.506000     -0.1009000     -0.7718000    
 C    4.759600      4.3900002E-02 -0.3318000    
 H   -3.042500      -1.244700       1.058100    
 H   -2.220400      1.3700000E-02   1.939200    
 H  -0.4514000       1.117800     -0.7168000    
 H   6.7500003E-02  0.9745000      0.9951000    
 H   0.5661000      -2.177900      0.7569000    
 H   -1.023800      -2.674800       1.341300    
 H  -0.1462000      -1.374600       2.161100    
 H   -1.287700     -0.7510000      -1.955600    
 H  -0.4686000      -2.112200      -1.327100    
 H   -2.180600      -2.083700      -1.112400    
 H    1.123300     -0.2856000      -1.492100    
 H   -3.880500     -0.8740000      -1.137300    
 H   -2.806200      0.3505000      -1.951700    
 H   -4.396700      0.7360000      -1.450900    
 H   -1.698600       2.105700      0.9060000    
 H   -3.097100       2.688700      0.1439000    
 H   -1.933000       2.099800     -0.9277000    
 H    3.314500     -0.5400000      -1.744700    
 H    5.591600     -0.2780000     -0.9494000    
 H    4.993400      0.4770000      0.6344000    


%chk=000088388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088388

0 1
O 2.520368 0.590402 1.253678
N -3.070832 0.687647 0.033288
N 1.368324 0.069705 -0.710851
C -0.888486 -0.796892 0.098856
C -2.227887 -0.269393 0.747920
C 0.038971 0.422984 -0.190871
C -0.218618 -1.738787 1.131991
C -1.177998 -1.578195 -1.207984
C -3.979330 0.245850 -1.019543
C -2.813428 2.122209 0.113711
C 2.527687 0.179490 0.049944
C 3.778343 -0.223009 -0.675241
C 4.991355 -0.166656 -0.069940
H -2.841052 -1.169102 0.972405
H -1.957307 0.181183 1.726808
H -0.459491 1.094037 -0.915767
H 0.215518 0.986801 0.743141
H 0.720799 -2.163549 0.734694
H -0.890838 -2.580712 1.386449
H 0.031330 -1.197955 2.063082
H -1.609011 -0.925231 -1.988588
H -0.254763 -2.037858 -1.611152
H -1.894007 -2.400983 -1.021523
H 1.443504 -0.259342 -1.674662
H -4.248858 -0.814547 -0.862238
H -3.569711 0.334479 -2.055772
H -4.916053 0.842128 -0.992767
H -2.275001 2.355779 1.050182
H -3.771644 2.683521 0.125414
H -2.207625 2.535967 -0.729982
H 3.685807 -0.565607 -1.716227
H 5.912585 -0.455777 -0.586432
H 5.060351 0.178512 0.968376


