%chk=000002049.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002049

0 1
 O   -3.885400      -1.843500      8.3099999E-02
 O   -4.663400      0.8214000      0.2506000    
 N   0.6772000     -0.5060000      1.5600000E-02
 N  -9.9900000E-02   2.156300      0.1836000    
 C  -0.6244000     -0.1740000      7.3399998E-02
 C   -1.017900       1.174200      0.1583000    
 C    1.579800      0.4910000      4.2100001E-02
 C   -1.602800      -1.165100      4.9699999E-02
 C   -2.958500     -0.8471000      0.1083000    
 C   -2.375400       1.481300      0.2163000    
 C   -3.346400      0.4818000      0.1918000    
 C    2.963200      9.4999999E-02 -2.2000000E-02
 C    1.196800       1.803200      0.1250000    
 C    3.676400     -0.1640000       1.152500    
 C    3.602300     -3.3900000E-02  -1.258900    
 C    5.016000     -0.5478000       1.090700    
 C    4.941900     -0.4180000      -1.320700    
 C    5.648600     -0.6749000     -0.1458000    
 C   -3.397900      -3.181600     -4.1000000E-03
 C   -5.330200       1.051700     -0.9895000    
 H   -1.239400      -2.186800     -1.6500000E-02
 H   -2.686500       2.522600      0.2831000    
 H    1.905200       2.623200      0.1477000    
 H    3.198600     -7.0600003E-02   2.125200    
 H    3.066300      0.1619000      -2.184800    
 H    5.566400     -0.7481000       2.005400    
 H    5.434700     -0.5172000      -2.283400    
 H    6.691600     -0.9740000     -0.1940000    
 H   -2.859700      -3.354800     -0.9422000    
 H   -4.271300      -3.842100     -1.3000000E-02
 H   -2.803800      -3.452900      0.8752000    
 H   -4.868200       1.888300      -1.523300    
 H   -6.372100       1.305400     -0.7762000    
 H   -5.309200      0.1512000      -1.611400    


%chk=000002049-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002049

0 1
O -4.002983 -1.549877 0.347867
O -4.650575 1.156550 -0.158624
N 0.751169 -0.433791 0.006287
N 0.017599 2.303185 -0.467745
C -0.575194 -0.049927 -0.042792
C -0.953326 1.326761 -0.288023
C 1.695653 0.526928 -0.181698
C -1.594403 -1.029279 0.156005
C -2.944586 -0.667282 0.110155
C -2.332853 1.672884 -0.351938
C -3.325783 0.708872 -0.168021
C 3.124443 0.111999 -0.127935
C 1.299807 1.898436 -0.410834
C 3.454610 -1.192243 0.335633
C 4.180836 0.976607 -0.528931
C 4.796495 -1.615120 0.404541
C 5.524741 0.551234 -0.460513
C 5.840408 -0.744504 0.008501
C -3.663625 -2.931094 0.712101
C -5.656791 0.438116 -0.972060
H -1.271802 -2.053577 0.358050
H -2.619185 2.709944 -0.543784
H 2.051150 2.684557 -0.533523
H 2.634926 -1.852796 0.633396
H 3.966194 1.979800 -0.911337
H 5.031884 -2.621867 0.767640
H 6.324743 1.229692 -0.777060
H 6.884552 -1.072291 0.062382
H -3.119664 -3.437296 -0.107798
H -4.629643 -3.427154 0.884088
H -3.056092 -2.956270 1.636219
H -5.343368 0.412446 -2.033180
H -6.573580 1.037566 -0.868284
H -5.813156 -0.585113 -0.596985


