%chk=000016796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016796

0 1
 O    3.801600     -0.6044000       1.604000    
 O    4.792200     -0.2297000     -0.5607000    
 O   -3.916700     -0.2680000      4.7499999E-02
 O   -3.228700       1.861700      0.5855000    
 N   -1.293100      -2.287000     -0.7659000    
 C    2.910600     -9.8300003E-02  0.7084000    
 C    3.476300      0.1158000     -0.5277000    
 C   0.8229000      0.7056000     -9.1200002E-02
 C    1.584100      0.1869000      0.9589000    
 C    2.746800      0.6269000      -1.581400    
 C    1.400900      0.9243000      -1.354100    
 C    4.991400     -0.6857000      0.7929000    
 C  -0.5809000       1.022900      0.1224000    
 C   -1.625900      0.1748000     -4.0899999E-02
 C   -2.991300      0.7131000      0.2391000    
 C   -5.278000      0.1095000      0.2797000    
 C   -6.171500      -1.085700      2.4700001E-02
 C   -1.440800      -1.182700     -0.4412000    
 H    1.156300      1.1700000E-02   1.941000    
 H    3.196400      0.7943000      -2.553500    
 H   0.8066000       1.328800      -2.170600    
 H    5.327200      -1.728700      0.7660000    
 H    5.774800     -7.5499997E-02   1.257000    
 H  -0.7492000       2.051400      0.4353000    
 H   -5.392400      0.4426000       1.317300    
 H   -5.550700      0.9268000     -0.3972000    
 H   -7.221800     -0.8321000      0.1932000    
 H   -6.054100      -1.441800      -1.004100    
 H   -5.898700      -1.917900      0.6819000    


%chk=000016796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016796

0 1
O 3.712442 -1.499003 0.833340
O 5.018559 0.247098 -0.172096
O -4.004856 -0.316386 0.215282
O -3.301666 1.612897 -0.896826
N -1.410451 -2.233416 1.301466
C 2.868692 -0.508488 0.276748
C 3.647556 0.516847 -0.315157
C 0.840396 0.629111 -0.362246
C 1.480433 -0.491698 0.275264
C 3.057496 1.618377 -0.943597
C 1.644486 1.654910 -0.955488
C 5.100868 -1.039092 0.586187
C -0.600640 0.809771 -0.455541
C -1.658584 0.037197 -0.003588
C -3.038694 0.545811 -0.286134
C -5.429264 0.086892 -0.006911
C -6.292895 -1.014537 0.596842
C -1.526766 -1.199811 0.707284
H 0.911648 -1.298413 0.740094
H 3.660431 2.406639 -1.399513
H 1.142209 2.501248 -1.436532
H 5.626160 -1.782446 -0.035806
H 5.599898 -0.847942 1.551166
H -0.928965 1.721527 -0.976979
H -5.587405 1.067737 0.477125
H -5.586989 0.208061 -1.093910
H -7.361391 -0.764146 0.465408
H -6.097804 -1.982406 0.105036
H -6.090603 -1.126741 1.675382


