%chk=000021171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021171

0 1
 O   -5.032600       2.002000      0.6187000    
 O   -6.155400      0.1023000     -0.3476000    
 O    4.351500      -1.437100      0.2586000    
 O    5.810400      0.8841000     -8.8999998E-03
 N   0.1150000      -1.336900     -0.2552000    
 C  -0.5519000     -0.1817000      0.3937000    
 C   0.1443000       1.101900     -0.1233000    
 C   -2.062300     -0.1361000      0.1614000    
 C  -0.6245000      -2.581200     -2.8999999E-02
 C    1.500100      -1.469200      0.2281000    
 C   -1.969500      -2.503300     -0.7458000    
 C   -2.740000      -1.266300     -0.3675000    
 C    1.651200       1.033900     -7.5000003E-02
 C    2.301800     -0.2025000      6.0100000E-02
 C   -2.809900      0.9961000      0.5353000    
 C   -4.128500      -1.235700     -0.5797000    
 C    3.702000     -0.2479000      9.3500003E-02
 C    2.410000       2.203600     -0.2143000    
 C   -4.174300      0.9873000      0.3243000    
 C   -4.815100     -9.5799997E-02 -0.2232000    
 C    4.448700      0.9229000     -3.5399999E-02
 C    3.803300       2.147200     -0.1922000    
 C   -6.286200       1.436500      0.1840000    
 C    4.633800      -1.838000       1.596600    
 C    6.478200      0.7140000      -1.257400    
 H  -0.4131000     -0.2563000       1.483000    
 H  -0.1734000       1.961800      0.4785000    
 H  -0.1519000       1.298300      -1.162800    
 H  -0.7676000      -2.765900       1.044300    
 H  -7.2700001E-02  -3.437100     -0.4366000    
 H    1.984200      -2.269200     -0.3457000    
 H    1.511100      -1.752000       1.288600    
 H   -2.552700      -3.397500     -0.4946000    
 H   -1.816900      -2.498400      -1.832500    
 H   -2.340500       1.863700      0.9861000    
 H   -4.649400      -2.087800      -1.004200    
 H    1.918300       3.165100     -0.3387000    
 H    4.378700       3.063000     -0.2961000    
 H   -6.713400       2.083200     -0.5910000    
 H   -6.973200       1.408500       1.037600    
 H    5.362600      -1.159500       2.051000    
 H    5.064800      -2.842500       1.568600    
 H    3.724000      -1.866300       2.203500    
 H    6.255500       1.549700      -1.928200    
 H    6.186500     -0.2316000      -1.725200    
 H    7.555300      0.6934000      -1.069800    


%chk=000021171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021171

0 1
O -5.150757 1.952399 0.859997
O -6.291311 0.125064 -0.211704
O 4.290133 -1.438955 0.354870
O 5.838939 1.015824 0.106989
N 0.081390 -1.327620 -0.309777
C -0.582611 -0.149332 0.305207
C 0.073019 1.111276 -0.318813
C -2.103368 -0.157702 0.120057
C -0.678448 -2.587451 -0.187333
C 1.480042 -1.463849 0.141896
C -1.995855 -2.459175 -0.967585
C -2.780877 -1.245016 -0.495376
C 1.589242 1.074517 -0.197021
C 2.254214 -0.160450 0.018200
C -2.841408 0.961326 0.614294
C -4.199608 -1.224035 -0.650674
C 3.665762 -0.181762 0.145949
C 2.350938 2.266657 -0.280333
C -4.223324 0.958945 0.447484
C -4.892220 -0.111415 -0.179733
C 4.424633 1.011432 0.004412
C 3.757545 2.238769 -0.191768
C -6.483975 1.453911 0.429098
C 5.037734 -1.555397 1.628650
C 6.530165 0.283189 -0.979237
H -0.378556 -0.126997 1.411271
H -0.313750 2.029118 0.162300
H -0.226424 1.148621 -1.384113
H -0.892615 -2.851827 0.880484
H -0.061427 -3.401520 -0.611177
H 1.976819 -2.243720 -0.462504
H 1.537573 -1.815229 1.208040
H -2.603167 -3.376075 -0.843236
H -1.755346 -2.364824 -2.044548
H -2.343633 1.794868 1.117471
H -4.724301 -2.062314 -1.118172
H 1.836223 3.223512 -0.427667
H 4.357905 3.150253 -0.274274
H -6.906520 2.152907 -0.314120
H -7.126842 1.333414 1.318136
H 5.837662 -0.795916 1.685168
H 5.464809 -2.570018 1.625801
H 4.350270 -1.437945 2.487996
H 6.329027 0.768060 -1.953585
H 6.205438 -0.772753 -1.013229
H 7.603164 0.349940 -0.742193


