%chk=000016632.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016632

1 1
 O   0.1688000      0.3041000     -0.7067000    
 O  -0.2025000      -1.727400      0.3106000    
 N    3.792500      0.1706000      0.1745000    
 C    2.312300      0.4710000      0.3607000    
 C    4.297700      0.8675000      -1.080600    
 C    4.568400      0.6758000       1.382500    
 C    3.992000      -1.331700      3.5599999E-02
 C    1.547700     -6.0000001E-03 -0.8583000    
 C  -0.5957000     -0.6479000     -0.1036000    
 C   -2.009600     -0.2049000     -7.4999998E-03
 C   -3.009700      -1.155100     -3.4000002E-02
 C   -2.279400       1.143600      0.1052000    
 C   -4.338000     -0.7386000      5.5900000E-02
 C   -3.607600       1.560200      0.1952000    
 C   -4.636800      0.6190000      0.1706000    
 H    1.972800     -2.9500000E-02   1.275200    
 H    2.194600       1.551700      0.5061000    
 H    3.985500       1.915600      -1.051800    
 H    5.391000      0.8056000      -1.083100    
 H    3.921100      0.3614000      -1.972900    
 H    4.190300      0.1653000       2.273200    
 H    5.629400      0.4523000       1.236600    
 H    4.414400       1.755900       1.464400    
 H    3.464600      -1.834000      0.8520000    
 H    3.636400      -1.674000     -0.9389000    
 H    5.065300      -1.536900      0.1045000    
 H    1.850400      0.5292000      -1.761800    
 H    1.661500      -1.072700      -1.069800    
 H   -2.789700      -2.214400     -0.1264000    
 H   -1.496200       1.894900      0.1405000    
 H   -5.139500      -1.471200      3.6100000E-02
 H   -3.840700       2.617000      0.2877000    
 H   -5.670900      0.9432000      0.2414000    


%chk=000016632-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016632

1 1
O 0.176732 0.936254 -0.839684
O 0.243357 -1.235860 0.001079
N 3.743534 0.072222 0.179285
C 2.422047 0.876121 0.168780
C 4.701345 0.607160 -0.883080
C 4.377488 0.242877 1.562078
C 3.483256 -1.423864 -0.055949
C 1.608382 0.762102 -1.143404
C -0.446246 -0.216849 -0.272458
C -1.894291 -0.041101 -0.070024
C -2.619829 -1.118970 0.510598
C -2.566901 1.155794 -0.442528
C -4.006894 -0.997402 0.717867
C -3.955057 1.268427 -0.230801
C -4.675427 0.195542 0.348575
H 1.823969 0.481801 1.004478
H 2.690066 1.924813 0.383459
H 4.941949 1.657709 -0.657952
H 5.620758 0.002136 -0.872664
H 4.226750 0.534744 -1.872451
H 3.725790 -0.229143 2.312804
H 5.364757 -0.243564 1.566672
H 4.487996 1.315698 1.782128
H 2.576093 -1.720992 0.490611
H 3.328795 -1.608740 -1.128308
H 4.363657 -1.986289 0.289421
H 1.836798 1.575216 -1.848114
H 1.752621 -0.217275 -1.631996
H -2.086008 -2.034581 0.785027
H -2.004018 1.976906 -0.894506
H -4.568232 -1.825083 1.162368
H -4.478074 2.186065 -0.517690
H -5.754761 0.287730 0.509477


