%chk=000168202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168202

0 1
 O   -1.454500       1.054500       1.186500    
 O   -5.912300      0.8084000      0.2046000    
 O   -5.266700      0.1082000      -1.853100    
 O    5.496600      0.6827000     -0.7807000    
 O    2.861900      -3.570800     -9.7900003E-02
 O    3.794300       2.036800      -1.426500    
 O    2.453800      -2.027800       1.520600    
 N   -3.844200      -1.961500     -0.8729000    
 N    1.956300      0.6478000     -5.4699998E-02
 N  -0.5606000       1.907700      0.4161000    
 N   0.5740000       2.209500       1.140300    
 C   -3.390900     -0.4050000       1.018600    
 C   -4.444700      -1.072600      0.1215000    
 C   -2.408700      0.5079000      0.2882000    
 C    3.314700      0.1140000     -1.3200000E-02
 C   -5.227000     -1.2500000E-02 -0.6355000    
 C    3.317000      -1.287300     -0.6119000    
 C    4.189500       1.054000     -0.8133000    
 C    2.828300      -2.305300      0.3887000    
 C    1.723100       1.511400      0.8747000    
 H   -3.887500      0.1790000       1.804600    
 H   -2.824300      -1.177200       1.555900    
 H   -5.147600      -1.652200      0.7300000    
 H   -1.879600     -6.0500000E-02 -0.4865000    
 H   -2.951100       1.329500     -0.1950000    
 H    3.715100      9.5100001E-02   1.010000    
 H    2.673700      -1.335200      -1.498200    
 H    4.330400      -1.584900     -0.9036000    
 H   -4.578900      -2.451300      -1.382400    
 H   -3.297800      -2.680600     -0.4003000    
 H   -1.119400       2.759400      0.3627000    
 H    2.506900       1.799200       1.598500    
 H   0.4905000       2.824600       1.943000    
 H   -6.420600       1.489700     -0.2850000    
 H    6.062600       1.292200      -1.300700    
 H    2.548400      -4.225300      0.5621000    


%chk=000168202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168202

0 1
O -1.620683 1.764250 1.709898
O -5.010320 -0.040840 -0.649416
O -3.783052 -0.646859 -2.523251
O 3.661134 -0.309475 -2.268483
O 0.592033 -3.053819 0.649103
O 3.254543 1.903383 -1.695997
O 2.121965 -1.848978 1.905554
N -1.740375 -1.687990 -0.988371
N 1.422810 1.013234 0.309878
N -0.502389 2.770595 1.399034
N 0.670709 2.397241 2.089279
C -2.607235 -0.279007 0.911287
C -2.936526 -1.240974 -0.270617
C -1.947981 1.028493 0.458039
C 2.448334 0.091942 -0.197688
C -3.903214 -0.620545 -1.278140
C 1.770299 -1.270255 -0.479173
C 3.119267 0.693511 -1.440393
C 1.549622 -2.030617 0.808882
C 1.580079 1.516585 1.497081
H -3.537361 -0.067238 1.468932
H -1.915017 -0.807451 1.594272
H -3.518329 -2.085235 0.179734
H -1.018600 0.846874 -0.105109
H -2.642144 1.640992 -0.152408
H 3.286263 -0.084377 0.523668
H 0.794943 -1.103998 -0.972994
H 2.393762 -1.892005 -1.147592
H -1.881452 -1.850125 -1.989013
H -1.167162 -2.383087 -0.503380
H -0.868132 3.625273 1.859034
H 2.436372 1.295856 2.165733
H 0.686158 2.435901 3.117015
H -5.626014 0.320513 -1.342902
H 4.136014 0.123473 -3.028605
H 0.522378 -3.563642 1.502309


