%chk=000130077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130077

0 1
 O    2.036700      0.3005000      -3.060500    
 O   -6.157500      -2.019400     -0.5077000    
 O    8.815700      0.3968000       1.838900    
 N   -1.332900      -1.078300      0.3603000    
 N   0.8429000      0.1294000      -1.057900    
 N    6.917600       1.192500      0.8185000    
 C  -1.0600000E-02 -0.9586000      0.9913000    
 C   -1.194300      -1.264000      -1.091500    
 C   0.7756000      0.2161000      0.4051000    
 C  -0.4436000     -8.8699996E-02  -1.715500    
 C   -2.085300      -2.184900      0.9501000    
 C   -3.490400      -2.249400      0.3482000    
 C    1.992400      0.3080000      -1.831100    
 C   -4.285700     -0.9635000      0.5903000    
 C    3.267300      0.5333000      -1.136900    
 C    5.292600     -0.3427000     -0.1379000    
 C    4.078800     -0.5514000     -0.8013000    
 C    6.226700      -1.482800      0.1481000    
 C    5.689400      0.9642000      0.1726000    
 C    3.671800       1.832200     -0.8291000    
 C    7.079500      -1.191000       1.373800    
 C    4.886700       2.051400     -0.1803000    
 C   -5.714400      -1.029300      6.9700003E-02
 C    7.709300      0.1878000       1.341100    
 C   -6.609300      0.1425000      0.2894000    
 C   -6.109800       1.239700      0.9548000    
 C   -7.901900      8.4600002E-02 -0.1815000    
 C   -6.946900       2.336400       1.160300    
 C   -8.739000       1.181400      2.3900000E-02
 C   -8.261300       2.307300      0.6948000    
 H  -0.1229000     -0.7936000       2.069500    
 H   0.5649000      -1.884400      0.8572000    
 H  -0.6657000      -2.200200      -1.315100    
 H   -2.160600      -1.295000      -1.601700    
 H   0.2798000       1.164700      0.6453000    
 H    1.770300      0.2474000      0.8552000    
 H  -0.3036000     -0.2649000      -2.787100    
 H   -1.021800      0.8376000      -1.609300    
 H   -2.175100      -2.038900       2.033900    
 H   -1.576900      -3.144800      0.7936000    
 H   -4.019800      -3.074500      0.8450000    
 H   -3.492500      -2.527000     -0.7108000    
 H   -4.318600     -0.7783000       1.670200    
 H   -3.790100     -0.1258000      8.8000000E-02
 H    3.771900      -1.561300      -1.064100    
 H    5.665600      -2.409900      0.3126000    
 H    6.868900      -1.629600     -0.7289000    
 H    3.048500       2.682300      -1.094500    
 H    7.872500      -1.941900       1.458600    
 H    6.468100      -1.244700       2.283300    
 H    5.192800       3.068400      5.0000001E-02
 H    7.239300       2.153000      0.8996000    
 H   -5.096100       1.309100       1.331800    
 H   -8.293800     -0.7811000     -0.7063000    
 H   -6.575400       3.213700       1.681900    
 H   -9.762600       1.159200     -0.3386000    
 H   -8.913100       3.161400      0.8546000    


%chk=000130077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130077

0 1
O 2.191980 -0.882730 -2.657043
O -6.280175 -1.647437 -0.968899
O 9.038366 1.151123 1.832104
N -1.543405 -1.405039 0.253801
N 0.792495 -0.173005 -0.931916
N 6.884390 1.474598 1.035147
C -0.302842 -1.209136 1.040955
C -1.207919 -1.642606 -1.175261
C 0.504354 -0.003563 0.508267
C -0.412128 -0.453476 -1.745095
C -2.422545 -2.457479 0.830222
C -3.870095 -2.387547 0.299631
C 2.054087 -0.358295 -1.501593
C -4.525347 -1.029743 0.606065
C 3.265739 0.123746 -0.746423
C 5.663461 -0.202002 -0.267485
C 4.461029 -0.633518 -0.853628
C 6.978647 -0.950819 -0.410417
C 5.673355 1.032597 0.444868
C 3.305208 1.365844 -0.062351
C 7.856159 -0.786579 0.852832
C 4.499960 1.820107 0.529520
C -5.854040 -0.811276 -0.116100
C 8.009987 0.674635 1.273882
C -6.649766 0.430188 0.191966
C -6.185461 1.432350 1.086484
C -7.909416 0.602659 -0.444480
C -6.965141 2.581660 1.338217
C -8.688853 1.748256 -0.190975
C -8.218360 2.741865 0.702018
H -0.575783 -1.016904 2.095614
H 0.353246 -2.117682 1.017014
H -0.610053 -2.580209 -1.300379
H -2.140114 -1.756596 -1.755068
H -0.090243 0.919865 0.659624
H 1.445802 0.082303 1.071389
H -0.080159 -0.669658 -2.772948
H -1.055393 0.448372 -1.742422
H -2.432551 -2.311854 1.928956
H -2.009361 -3.480469 0.643067
H -4.456544 -3.206203 0.758114
H -3.907234 -2.573870 -0.788534
H -4.681008 -0.913076 1.698210
H -3.814598 -0.225240 0.319357
H 4.437163 -1.559516 -1.439012
H 6.798262 -2.020917 -0.613526
H 7.530357 -0.550795 -1.286310
H 2.410262 1.995859 -0.017480
H 8.868307 -1.197224 0.706553
H 7.400853 -1.329616 1.705638
H 4.520958 2.783649 1.052712
H 6.944394 2.435314 1.385836
H -5.216047 1.323316 1.583702
H -8.248167 -0.179245 -1.132484
H -6.599382 3.351005 2.027141
H -9.659025 1.871196 -0.684743
H -8.823569 3.633817 0.899564


