%chk=000004171.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004171

0 1
 O   -1.395400      -1.712200     -0.3795000    
 O   -4.158200      -2.020400     -0.4451000    
 O    4.037300       1.503500     -0.3111000    
 N   -2.923800       1.295500      0.6468000    
 C   -3.556900      -1.093200      0.4633000    
 C   -3.555500      0.2885000     -0.1950000    
 C   -2.885200       2.586800     -2.5800001E-02
 C   -2.159100      -1.596000      0.8171000    
 C   -2.101400       2.480300      -1.330900    
 C   -2.264100       3.625000      0.9032000    
 C  -4.5800000E-02  -1.509500     -0.2701000    
 C    2.695700      -1.096500     -4.5200001E-02
 C    4.165600     -0.8757000      7.4600004E-02
 C   0.6033000      -1.823200      0.9192000    
 C   0.6638000     -0.9911000      -1.348100    
 C    1.978200      -1.616000       1.032000    
 C    2.038600     -0.7840000      -1.235400    
 C    4.520100      0.5204000      0.5956000    
 C    4.342700       2.817900      0.1343000    
 H   -4.170000      -1.076200       1.372300    
 H   -3.055800      0.1742000      -1.162300    
 H   -4.591200      0.5749000     -0.4200000    
 H   -3.906200       2.919600     -0.2531000    
 H   -3.430900       1.374200       1.527800    
 H   -2.235800      -2.594700       1.263300    
 H   -1.709400     -0.9094000       1.544600    
 H   -2.665400       1.973400      -2.120000    
 H   -1.145100       1.962900      -1.191900    
 H   -1.873000       3.480200      -1.718900    
 H   -1.232500       3.363100       1.164700    
 H   -2.249600       4.611900      0.4280000    
 H   -2.836600       3.715200       1.833100    
 H    4.605100      -1.633600      0.7349000    
 H    4.630800      -1.024600     -0.9087000    
 H   -5.062400      -1.710500     -0.6238000    
 H    2.479900      -1.868100       1.962600    
 H    2.585000     -0.3787000      -2.082900    
 H   8.8500001E-02  -2.258800       1.770100    
 H   0.1553000     -0.7450000      -2.276000    
 H    4.073900      0.6814000       1.584500    
 H    5.609300      0.6073000      0.6829000    
 H    5.425600       2.955300      0.2115000    
 H    3.952100       3.528800     -0.5987000    
 H    3.867200       3.015800       1.099800    


%chk=000004171-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004171

0 1
O -1.264628 -0.856566 -0.402032
O -3.802984 -2.233145 -0.914053
O 5.216146 0.688855 -1.098657
N -3.969580 1.229858 0.599516
C -3.623789 -1.179141 0.097177
C -3.923498 0.225505 -0.478301
C -3.627059 2.632888 0.232485
C -2.200789 -1.309307 0.635427
C -2.099695 2.788855 0.062417
C -4.158453 3.574480 1.332493
C 0.107020 -0.931082 -0.116452
C 2.937381 -0.995162 0.246531
C 4.446628 -1.032760 0.447970
C 0.651395 -1.371121 1.114337
C 0.972338 -0.526508 -1.164450
C 2.056935 -1.397446 1.278389
C 2.366361 -0.559847 -0.982898
C 5.147213 0.332592 0.326226
C 5.803017 2.009111 -1.308219
H -4.312058 -1.364938 0.954822
H -3.119441 0.483284 -1.186464
H -4.876474 0.171378 -1.066710
H -4.116486 2.919150 -0.732267
H -4.846884 1.183358 1.133968
H -2.001013 -2.368909 0.889592
H -2.102774 -0.670694 1.535331
H -1.690984 2.049150 -0.648215
H -1.594660 2.631725 1.032670
H -1.851483 3.800086 -0.310741
H -3.724599 3.296291 2.310989
H -3.881792 4.621183 1.115832
H -5.261893 3.524283 1.412445
H 4.673366 -1.442859 1.451000
H 4.925255 -1.707896 -0.288893
H -4.611072 -2.029762 -1.450643
H 2.470269 -1.742957 2.234727
H 3.032999 -0.239378 -1.789494
H 0.006379 -1.691337 1.937643
H 0.529585 -0.199136 -2.110745
H 4.589348 1.114084 0.888396
H 6.180462 0.270855 0.737998
H 6.841259 2.061945 -0.913991
H 5.819267 2.173987 -2.397270
H 5.198164 2.805748 -0.824186


