%chk=000108137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108137

0 1
 O    1.341300      0.5310000      0.5255000    
 N   -2.280400      0.6196000      0.3441000    
 N   -1.009500      -1.182100      0.7208000    
 N   -5.438000     -0.6670000      -2.080300    
 C   -3.140200     -0.4386000      0.4912000    
 C  -0.9898000      0.1160000      0.4925000    
 C   -2.336400      -1.530000      0.7207000    
 C   7.9499997E-02   1.051100      0.3758000    
 C   -2.561600       1.960200      9.3999997E-02
 C   -4.608400     -0.3184000      0.4013000    
 C  -0.1806000       2.351700      0.1333000    
 C   -1.545700       2.832000     -1.4000000E-02
 C   -2.735200      -2.928200      0.9497000    
 C    2.119200      0.7397000     -0.6399000    
 C    3.474700      0.1281000     -0.4400000    
 C    4.500000      0.8907000      0.1083000    
 C    3.693300      -1.195800     -0.8045000    
 C   -5.082500     -0.5126000     -0.9865000    
 C    5.760000      0.3221000      0.2945000    
 C    4.953400      -1.764400     -0.6181000    
 C    5.986700      -1.005300     -6.8599999E-02
 H   -3.593600       2.269300     -1.1900000E-02
 H   -4.961100      0.6443000      0.7864000    
 H   -5.076300      -1.077300       1.040700    
 H   0.6089000       3.091500      5.7300001E-02
 H   -1.713300       3.884300     -0.2088000    
 H   -3.322900      -3.015700       1.868800    
 H   -3.339100      -3.300600      0.1162000    
 H   -1.859500      -3.577700       1.046400    
 H    2.247600       1.807800     -0.8582000    
 H    1.633300      0.2832000      -1.513500    
 H    4.334000       1.924800      0.3973000    
 H    2.894900      -1.796900      -1.230900    
 H    6.564500      0.9128000      0.7230000    
 H    5.129900      -2.798300     -0.9001000    
 H    6.967800      -1.448100      7.6800004E-02


%chk=000108137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108137

0 1
O 1.263489 0.331979 -0.010077
N -2.409018 0.497203 0.184605
N -1.068328 -1.357273 0.408469
N -5.951717 0.269700 -1.739787
C -3.253499 -0.599170 0.421239
C -1.075095 -0.015346 0.186885
C -2.406900 -1.719982 0.551425
C 0.001914 0.906431 -0.029925
C -2.698647 1.844068 -0.027528
C -4.748522 -0.476839 0.531679
C -0.284511 2.264366 -0.236606
C -1.643990 2.718671 -0.234736
C -2.802076 -3.147517 0.812527
C 2.419530 1.207698 -0.245173
C 3.680680 0.361774 -0.194978
C 4.937741 1.003885 -0.327190
C 3.629096 -1.042077 -0.027156
C -5.420290 -0.069244 -0.726869
C 6.131544 0.251132 -0.294692
C 4.826960 -1.793392 0.006224
C 6.079481 -1.152932 -0.127502
H -3.747756 2.143277 -0.040513
H -5.042722 0.246781 1.320549
H -5.157537 -1.455622 0.840243
H 0.515770 2.988431 -0.404980
H -1.863431 3.775378 -0.406458
H -3.269265 -3.274393 1.807638
H -3.513736 -3.526349 0.055632
H -1.898611 -3.776254 0.780085
H 2.446528 2.000228 0.532420
H 2.311771 1.696742 -1.236846
H 4.987800 2.093338 -0.455585
H 2.656213 -1.529843 0.078572
H 7.097959 0.757244 -0.398083
H 4.778844 -2.880307 0.137098
H 7.005231 -1.738588 -0.101307


