%chk=000047600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047600

0 1
 O    2.346100       1.633700      0.3119000    
 O   -2.979600      -2.125300     -0.6164000    
 O   -6.203600      0.6571000     -0.7769000    
 O   -6.094800       2.505900      0.5195000    
 O   -3.075100      -1.168500       1.469300    
 N   -3.695400     -2.2000000E-03 -0.4383000    
 C   -3.220000       2.405100     -0.3685000    
 C   -4.057200       1.245400      0.1866000    
 C   -1.735400       2.199800     -0.1867000    
 C  -0.9953000       1.551800      -1.175700    
 C   -1.103800       2.657600      0.9697000    
 C   -5.538900       1.540800      5.5000000E-03
 C    1.007900       1.819600      0.1481000    
 C   0.3764000       1.361700      -1.008300    
 C   0.2677000       2.467500       1.137200    
 C   -3.235000      -1.104100      0.2549000    
 C    3.042100      0.9639000     -0.7383000    
 C    4.487700      0.8287000     -0.3595000    
 C   -2.492800      -3.338300     -3.1300001E-02
 C  -0.9939000      -3.291300      1.7999999E-02
 C    5.395900       1.829100     -0.7056000    
 C    4.923300     -0.2977000      0.3384000    
 C  -0.2452000      -3.777300      -1.053900    
 C  -0.3492000      -2.762100       1.136000    
 C    6.739900       1.703300     -0.3539000    
 C    6.267200     -0.4236000      0.6902000    
 C    7.175400      0.5769000      0.3440000    
 C    1.148300      -3.734000      -1.007900    
 C    1.044300      -2.718700       1.182000    
 C    1.793000      -3.204700      0.1101000    
 H   -3.515800       3.348400      0.1098000    
 H   -3.434500       2.547800      -1.436900    
 H   -3.893000       1.149800       1.266900    
 H   -3.813800     -8.9400001E-02  -1.443400    
 H   -1.474700       1.192700      -2.082600    
 H   -1.670500       3.161600       1.748000    
 H   0.8867000      0.8522000      -1.818200    
 H   0.7542000       2.825300       2.040400    
 H    2.976500       1.534200      -1.674400    
 H    2.633700     -4.2599998E-02 -0.8994000    
 H   -2.928100      -3.524400      0.9586000    
 H   -2.827900      -4.166600     -0.6663000    
 H   -7.152500      0.8890000     -0.8677000    
 H    5.068600       2.712700      -1.247200    
 H    4.225500      -1.081100      0.6195000    
 H  -0.7355000      -4.190100      -1.931400    
 H  -0.9116000      -2.394100       1.988400    
 H    7.447100       2.482500     -0.6228000    
 H    6.606100      -1.299900       1.235100    
 H    8.221700      0.4790000      0.6184000    
 H    1.731400      -4.112300      -1.842400    
 H    1.547000      -2.309300       2.053300    
 H    2.877700      -3.174700      0.1463000    


%chk=000047600-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047600

0 1
O 2.225041 1.448172 0.132040
O -2.974764 -2.126487 -0.161167
O -6.291573 0.866072 -1.109143
O -6.348910 2.497628 0.547513
O -2.857926 -0.671471 1.698978
N -3.898937 -0.057728 -0.315530
C -3.403957 2.405201 -0.648517
C -4.235338 1.297010 0.107956
C -1.909529 2.196176 -0.492882
C -1.146265 1.602820 -1.524302
C -1.245296 2.544883 0.714266
C -5.715950 1.619791 -0.073514
C 0.869622 1.684701 -0.152374
C 0.234575 1.345197 -1.371111
C 0.127068 2.297468 0.887587
C -3.211204 -0.916318 0.514307
C 3.026923 0.797641 -0.912634
C 4.435039 0.579540 -0.389867
C -2.210537 -3.157254 0.622174
C -0.715391 -3.047341 0.406853
C 4.933102 1.286550 0.730536
C 5.281285 -0.338478 -1.062144
C -0.057590 -3.901786 -0.514095
C 0.049278 -2.100467 1.138603
C 6.261726 1.080454 1.168111
C 6.610582 -0.538371 -0.629053
C 7.105657 0.171466 0.489977
C 1.340771 -3.816037 -0.702768
C 1.445156 -2.009607 0.946997
C 2.095336 -2.869284 0.029078
H -3.718451 3.383399 -0.238606
H -3.688418 2.384245 -1.717717
H -4.004558 1.365987 1.185174
H -4.194013 -0.391473 -1.233652
H -1.634563 1.326571 -2.466694
H -1.811063 3.007208 1.532445
H 0.785566 0.873151 -2.189143
H 0.640194 2.557105 1.818547
H 3.040247 1.447332 -1.814714
H 2.563933 -0.171539 -1.189638
H -2.476447 -3.030983 1.686073
H -2.609319 -4.108098 0.234864
H -7.242717 1.133939 -1.226575
H 4.272888 1.983695 1.253746
H 4.902665 -0.897023 -1.928295
H -0.641344 -4.637710 -1.081339
H -0.460529 -1.433613 1.842750
H 6.637258 1.630409 2.038491
H 7.255442 -1.249143 -1.158029
H 8.135204 0.014288 0.830429
H 1.839800 -4.488061 -1.410258
H 2.026385 -1.272305 1.511997
H 3.182148 -2.806721 -0.103531


