%chk=000115153.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115153

0 1
 O   -1.308900     -0.1322000       1.094400    
 O   -3.253800     -0.9770000       1.984700    
 N   -1.736500       2.357100     -0.3596000    
 N    3.848900      0.3879000      0.3441000    
 C  -0.7697000      2.1400001E-02 -0.2341000    
 C  -0.5154000       1.559800     -0.5236000    
 C   0.6206000       2.197200      0.3489000    
 C   0.5402000     -0.7506000     -0.2764000    
 C    1.712200     -3.5200000E-02  1.1000000E-02
 C    1.837900       1.338900      0.3078000    
 C   -1.841200     -0.5432000      -1.098400    
 C    2.963000     -0.6226000      3.8199998E-02
 C   0.6976000      -2.124900     -0.5077000    
 C    3.175700       1.580900      0.5130000    
 C   -2.875500     -0.9725000     -0.3781000    
 C   -2.543400     -0.7153000       1.029300    
 C    3.131600      -1.984000     -0.2125000    
 C    1.967900      -2.722100     -0.4820000    
 C   -1.509200       3.729500     -0.7781000    
 C   -4.142200      -1.593200     -0.8207000    
 H  -0.1949000       1.624700      -1.576100    
 H   0.2914000       2.301100       1.390400    
 H   0.9009000       3.189400     -2.1299999E-02
 H   -1.786700     -0.5920000      -2.177500    
 H   -2.478000       1.960300     -0.9357000    
 H  -0.1667000      -2.752900     -0.7085000    
 H    3.717300       2.482400      0.7628000    
 H    4.848500      0.2729000      0.4377000    
 H    4.107600      -2.455100     -0.1927000    
 H    2.053500      -3.789800     -0.6720000    
 H   -2.477900       4.234300     -0.8642000    
 H   -1.025000       3.798000      -1.758000    
 H  -0.9406000       4.302100     -3.9700001E-02
 H   -4.997000     -0.9868000     -0.5054000    
 H   -4.250100      -2.593500     -0.3900000    
 H   -4.181200      -1.689600      -1.910600    


%chk=000115153-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115153

0 1
O -1.254041 -0.098101 1.157771
O -3.264606 -0.832913 2.102016
N -1.697702 2.314509 -0.486214
N 3.940913 0.355528 0.444060
C -0.706770 0.029135 -0.252259
C -0.437058 1.561139 -0.534256
C 0.613963 2.162078 0.454011
C 0.596040 -0.762755 -0.320615
C 1.761147 -0.049403 0.028094
C 1.871493 1.331712 0.405756
C -1.829728 -0.524122 -1.109245
C 3.052064 -0.655326 0.054382
C 0.740875 -2.123226 -0.650852
C 3.223174 1.558184 0.652566
C -2.897081 -0.896883 -0.350291
C -2.564576 -0.630820 1.091824
C 3.204461 -2.022147 -0.273812
C 2.033026 -2.733924 -0.624015
C -1.658605 3.702408 -0.970322
C -4.219553 -1.489921 -0.738707
H 0.023044 1.579082 -1.559471
H 0.156565 2.145981 1.461667
H 0.808517 3.217155 0.190579
H -1.739040 -0.598149 -2.195681
H -2.487456 1.778834 -0.863173
H -0.132622 -2.726595 -0.921726
H 3.741887 2.463601 0.962879
H 4.945286 0.249855 0.566050
H 4.177848 -2.524580 -0.261206
H 2.119557 -3.795482 -0.881698
H -2.689222 4.094638 -1.022758
H -1.192120 3.818447 -1.980000
H -1.102025 4.350287 -0.269406
H -5.049644 -0.852898 -0.381644
H -4.357548 -2.474312 -0.254605
H -4.309565 -1.615615 -1.830302


