%chk=000015346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015346

0 1
 O    6.267700      -1.206600     -0.1937000    
 O   -2.242000       1.676800      -1.720000    
 N    3.463400      -1.588000      0.1100000    
 N   -1.169200     -7.8599997E-02 -0.5666000    
 C    2.184300      -1.329500      0.7679000    
 C    1.162900     -0.8123000     -0.2464000    
 C    4.425400      -2.176500       1.052200    
 C    4.013400     -0.3525000     -0.4650000    
 C  -0.1991000     -0.5428000      0.3870000    
 C    5.755500      -2.425300      0.3469000    
 C    5.352700     -0.6451000      -1.135300    
 C   -1.967200      -1.107100      -1.242300    
 C   -1.414800       1.270800     -0.9046000    
 C   -3.228900      -1.422400     -0.4921000    
 C  -0.6219000       2.300200     -0.2139000    
 C   -3.223900      -2.425000      0.4707000    
 C   -4.389300     -0.7084000     -0.7672000    
 C   0.5834000       2.711500     -0.7616000    
 C   -1.094500       2.840900      0.9720000    
 C   -4.395900      -2.717800       1.168000    
 C   -5.561200      -1.001200     -6.9799997E-02
 C   -5.564500      -2.006000      0.8979000    
 C    1.334900       3.687500     -0.1072000    
 C  -0.3429000       3.817000       1.626300    
 C   0.8717000       4.240200       1.086700    
 H    2.296200     -0.6086000       1.588200    
 H    1.800000      -2.260800       1.202600    
 H    1.051000      -1.541900      -1.058800    
 H    1.488700      0.1191000     -0.7096000    
 H    4.045400      -3.128800       1.439500    
 H    4.584900      -1.502000       1.903600    
 H    4.150200      0.4078000      0.3148000    
 H    3.378500      6.5600000E-02  -1.249600    
 H  -8.1100002E-02  0.1982000       1.183800    
 H  -0.5693000      -1.449200      0.8760000    
 H    6.491000      -2.806800       1.062300    
 H    5.656100      -3.167800     -0.4543000    
 H    5.239700      -1.326900      -1.987100    
 H    5.792800      0.2842000      -1.511500    
 H   -2.219500     -0.7609000      -2.252600    
 H   -1.356900      -2.008200      -1.380900    
 H   -2.324800      -2.995200      0.6850000    
 H   -4.405100      7.1800001E-02  -1.522400    
 H   0.9482000       2.292600      -1.695200    
 H   -2.039300       2.516000       1.398800    
 H   -4.399200      -3.501800       1.919700    
 H   -6.471700     -0.4482000     -0.2813000    
 H   -6.477400      -2.234600       1.440200    
 H    2.280100       4.017800     -0.5281000    
 H  -0.7034000       4.247300       2.556000    
 H    1.456800       5.000300       1.596100    


%chk=000015346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015346

0 1
O 6.127824 -2.300738 -0.150082
O -2.778386 2.029035 -1.346891
N 3.289420 -1.731289 0.180751
N -1.195229 0.448500 -0.687418
C 2.105862 -1.025372 0.730101
C 1.080015 -0.630013 -0.352171
C 4.081454 -2.395853 1.251231
C 4.170954 -0.843121 -0.622740
C -0.196674 -0.038967 0.290808
C 5.248719 -3.183464 0.635060
C 5.342672 -1.647347 -1.209405
C -1.938951 -0.595478 -1.450164
C -1.685026 1.755115 -0.745354
C -2.866677 -1.437658 -0.579056
C -0.892168 2.870917 -0.107524
C -2.582266 -2.800798 -0.316711
C -4.036048 -0.858093 -0.018579
C 0.510975 3.011936 -0.265299
C -1.616386 3.886976 0.567587
C -3.446561 -3.576479 0.491328
C -4.898652 -1.630339 0.788858
C -4.606746 -2.991668 1.047364
C 1.179495 4.139758 0.260244
C -0.946112 5.003633 1.109587
C 0.455081 5.133229 0.958472
H 2.404248 -0.112389 1.310858
H 1.614697 -1.713140 1.447140
H 0.841659 -1.532758 -0.944976
H 1.509271 0.112046 -1.051448
H 3.421126 -3.090486 1.804944
H 4.491018 -1.652882 1.982181
H 4.576476 -0.006016 0.002108
H 3.591629 -0.400643 -1.453066
H 0.071589 0.791653 0.964322
H -0.682316 -0.817454 0.914859
H 5.890771 -3.621069 1.417234
H 4.849699 -3.990194 -0.017123
H 4.950712 -2.414016 -1.912291
H 6.051151 -0.987742 -1.737277
H -2.522601 -0.055818 -2.214888
H -1.200738 -1.242798 -1.957514
H -1.685906 -3.260791 -0.753154
H -4.260692 0.193132 -0.233187
H 1.075857 2.260909 -0.827931
H -2.704651 3.793728 0.641988
H -3.217232 -4.630783 0.683853
H -5.802006 -1.175678 1.211248
H -5.279436 -3.590278 1.672041
H 2.260627 4.246875 0.117939
H -1.514416 5.777063 1.637760
H 0.974776 6.005909 1.369482


