%chk=000002576.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002576

0 1
 O   0.7138000     -0.3398000      8.7600000E-02
 O   -2.300100       1.445600      0.2513000    
 O    2.159800      1.5500000E-02   1.836200    
 O   -2.929800       2.652500      -1.605300    
 N    2.855100      0.1975000     -0.3696000    
 N   -2.841200       3.625500      0.4762000    
 C   -1.662800     -0.9350000      0.2831000    
 C   -1.513900      -2.160500     -0.6668000    
 C  -0.3356000     -0.6056000       1.007800    
 C   -2.126700      0.2875000     -0.5536000    
 C   -2.744100      -1.200600       1.349400    
 C   -1.161100      -3.487700      1.5100000E-02
 C   -1.094200      -4.624600     -0.9955000    
 C    1.935700     -3.6200002E-02  0.6314000    
 C    4.236500      0.5421000     -0.1250000    
 C   -2.709200       2.577700     -0.4011000    
 C    4.389500       2.051400      1.1400000E-02
 C    5.128300     -5.2999998E-03  -1.232600    
 H  -0.7551000      -1.939600      -1.428900    
 H   -2.457700      -2.296400      -1.212400    
 H  -0.4689000      0.2713000       1.654400    
 H  -4.1000001E-02  -1.441900       1.653400    
 H   -1.387200      0.5039000      -1.335200    
 H   -3.079700      5.4900002E-02  -1.046900    
 H   -2.927800     -0.3169000       1.970800    
 H   -2.451000      -2.004300       2.032700    
 H   -3.695300      -1.483800      0.8850000    
 H  -0.1934000      -3.411400      0.5213000    
 H   -1.910000      -3.747400      0.7695000    
 H  -0.3325000      -4.428000      -1.756700    
 H   -2.057000      -4.760100      -1.498500    
 H  -0.8384000      -5.563000     -0.4935000    
 H    4.537900      7.9700001E-02  0.8228000    
 H    2.525700      0.1672000      -1.330000    
 H    4.078200       2.566300     -0.9044000    
 H    3.771700       2.435800      0.8303000    
 H    5.430000       2.322400      0.2184000    
 H    4.862600      0.4222000      -2.205800    
 H    5.025000      -1.093100      -1.311500    
 H    6.181200      0.2218000      -1.036000    
 H   -2.646700       3.513700       1.465500    
 H   -3.137300       4.543600      0.1623000    


%chk=000002576-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002576

0 1
O 0.687969 -0.546259 0.108168
O -2.194889 1.420905 0.304143
O 2.070350 0.244009 1.855060
O -2.454330 2.761695 -1.619285
N 2.819918 0.092096 -0.367422
N -2.455001 3.665729 0.549160
C -1.717025 -0.991120 0.313812
C -1.580684 -2.210839 -0.654102
C -0.410312 -0.725694 1.091555
C -2.055422 0.228648 -0.572168
C -2.844635 -1.221410 1.354284
C -1.173650 -3.554172 -0.006329
C -1.136854 -4.700216 -1.041402
C 1.893288 -0.034646 0.639507
C 4.169572 0.649983 -0.125112
C -2.376111 2.641418 -0.371314
C 4.142710 2.196846 -0.104631
C 5.142267 0.097293 -1.185483
H -0.834699 -1.961785 -1.434775
H -2.552926 -2.348058 -1.173172
H -0.493698 0.187906 1.704514
H -0.156966 -1.572716 1.754444
H -1.255535 0.422490 -1.307818
H -3.008021 0.073739 -1.112626
H -3.016732 -0.310755 1.953590
H -2.596546 -2.048034 2.043636
H -3.791329 -1.478534 0.843912
H -0.174509 -3.456980 0.460217
H -1.881264 -3.820130 0.803041
H -0.415920 -4.480227 -1.851379
H -2.129664 -4.846787 -1.507503
H -0.837964 -5.656240 -0.573701
H 4.476094 0.297399 0.877346
H 2.527131 -0.131915 -1.319659
H 3.838254 2.599091 -1.088849
H 3.431642 2.555260 0.659404
H 5.143826 2.597540 0.139644
H 4.848953 0.423413 -2.202542
H 5.170096 -1.006710 -1.165436
H 6.162937 0.473576 -0.998054
H -2.360657 3.477037 1.543904
H -2.586367 4.614053 0.210020


