%chk=000022272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022272

0 1
 O   0.1618000      0.7241000       1.291500    
 O   -1.941500      -2.326200      -1.041100    
 O   -1.028100       2.520200       2.135500    
 O   -4.622300      -1.656700      -1.228100    
 O   -5.567000      0.6436000     -1.5200000E-02
 N    2.169900     -0.5642000     -0.4111000    
 C   0.7583000     -0.4226000     -0.7453000    
 C  -0.1081000     -0.4656000      0.5020000    
 C    2.993400     -0.5213000      -1.621000    
 C    2.404800      -1.811900      0.3182000    
 C   -1.560500     -0.3516000      0.2433000    
 C    2.826300      0.8221000      -2.329300    
 C    3.880200      -1.936600      0.6951000    
 C   -2.051800      0.7897000      0.8457000    
 C    3.228100       1.981500      -1.416800    
 C    4.329000     -0.7630000       1.566500    
 C   -2.408100      -1.190700     -0.4586000    
 C  -0.9588000       1.481000       1.510300    
 C   -3.383600       1.156200      0.7803000    
 C   -3.761400     -0.8483000     -0.5432000    
 C   -4.245800      0.3183000      7.2200000E-02
 C    3.098200       3.319900      -2.126300    
 C    5.787100     -0.8979000       1.975400    
 H   0.4566000      -1.195100      -1.462600    
 H   0.5653000      0.5465000      -1.217000    
 H   2.5699999E-02  -1.339300       1.142800    
 H    2.737300      -1.335200      -2.311600    
 H    4.062500     -0.6020000      -1.407400    
 H    2.101200      -2.687000     -0.2704000    
 H    1.868500      -1.849700       1.269200    
 H    1.823200      0.9660000      -2.742900    
 H    3.493000      0.8226000      -3.202400    
 H    4.539000      -2.079000     -0.1668000    
 H    3.992200      -2.859300       1.281400    
 H    4.265000       1.853700      -1.084200    
 H    2.601300       2.012400     -0.5189000    
 H    3.708900     -0.7093000       2.469300    
 H    4.213300      0.1895000       1.039000    
 H   -3.746700       2.058700       1.259600    
 H    3.395600       4.134100      -1.457900    
 H    3.738800       3.357700      -3.013200    
 H    2.064700       3.498200      -2.440100    
 H    6.085100     -5.1899999E-02   2.602700    
 H    5.951400      -1.817700       2.545500    
 H    6.440100     -0.9160000       1.097000    
 H   -1.045400      -2.513000     -0.7163000    
 H   -5.389600      -1.139500      -1.522000    
 H   -6.088000     -0.1562000     -0.1929000    


%chk=000022272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022272

0 1
O 0.392952 1.209494 0.270843
O -1.907611 -2.757082 0.137749
O -0.820177 3.214631 0.307551
O -4.599769 -2.222300 0.155312
O -5.599225 0.243149 0.228061
N 2.201664 -0.876296 -1.028688
C 0.741492 -0.813436 -1.115407
C 0.085589 -0.251411 0.174416
C 2.928057 -0.370365 -2.220828
C 2.743474 -2.128450 -0.448252
C -1.434840 -0.307776 0.187677
C 2.860391 1.166054 -2.377671
C 4.000809 -1.909202 0.425127
C -1.945098 1.006926 0.232302
C 3.552769 1.934591 -1.231365
C 3.716243 -1.100210 1.709003
C -2.308554 -1.414742 0.162896
C -0.823343 1.971004 0.274002
C -3.325500 1.287665 0.246748
C -3.705724 -1.160848 0.177046
C -4.188608 0.181474 0.217224
C 3.373157 3.462778 -1.347855
C 4.992183 -0.800053 2.523916
H 0.288590 -1.816719 -1.334067
H 0.438746 -0.156775 -1.950148
H 0.545564 -0.720010 1.065777
H 2.558463 -0.860005 -3.157281
H 3.988678 -0.665712 -2.111567
H 2.968607 -2.877938 -1.247913
H 1.957381 -2.581409 0.191218
H 1.802935 1.493903 -2.437944
H 3.325242 1.434028 -3.349704
H 4.777676 -1.388188 -0.170077
H 4.423374 -2.900915 0.689812
H 4.633694 1.679782 -1.222014
H 3.125887 1.584891 -0.273797
H 2.997993 -1.663264 2.342266
H 3.218289 -0.153862 1.424256
H -3.683463 2.321944 0.284651
H 3.912905 3.992869 -0.541532
H 3.752504 3.843484 -2.316176
H 2.304128 3.734604 -1.267057
H 4.759142 -0.228173 3.440722
H 5.504727 -1.732740 2.828090
H 5.707886 -0.202481 1.928133
H -0.922198 -2.829446 0.072526
H -5.524628 -1.854838 0.174500
H -5.933354 1.170574 0.257421


