%chk=000028633.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028633

0 1
 O  -0.4332000      -1.311100     -0.6100000    
 O   -1.084500      -2.277300       1.375300    
 N    2.605500      0.3811000     -0.6436000    
 N   -6.160000       1.294800     -0.3288000    
 C    4.027600      5.5700000E-02 -0.7622000    
 C    2.421700       1.816400     -0.4555000    
 C    4.730600     -1.3200000E-02  0.6044000    
 C    1.108300       2.150100      0.2725000    
 C    1.878000     -7.9999998E-02  -1.826800    
 C    1.652100      -1.586800      -1.755700    
 C    4.073400      -1.092100       1.469500    
 C    6.229900     -0.2960000      0.4800000    
 C    1.102100       1.491700       1.654800    
 C   0.8849000       3.657500      0.4198000    
 C   0.8233000      -1.970600     -0.5373000    
 C   -1.296500      -1.553000      0.4152000    
 C   -2.567100     -0.8098000      0.2206000    
 C   -3.591100     -0.9208000       1.161300    
 C   -2.736500     -1.9999999E-04 -0.9025000    
 C   -4.784600     -0.2221000      0.9787000    
 C   -3.929800      0.6983000      -1.085200    
 C   -4.953900      0.5873000     -0.1446000    
 H    4.537600      0.7839000      -1.408500    
 H    4.184500     -0.9146000      -1.247000    
 H    2.462300       2.345200      -1.417900    
 H    3.234300       2.248300      0.1419000    
 H    4.633200      0.9445000       1.128500    
 H   0.2562000       1.756400     -0.2943000    
 H   0.9005000      0.4085000      -1.914200    
 H    2.419100      0.1732000      -2.748400    
 H    1.105000      -1.881400      -2.660400    
 H    2.587300      -2.154300      -1.760600    
 H    4.067600      -2.063500      0.9631000    
 H    4.617000      -1.212300       2.413300    
 H    3.045200     -0.8330000       1.730300    
 H    6.719300      0.4804000     -0.1171000    
 H    6.708300     -0.3136000       1.464900    
 H    6.412100      -1.261300     -4.3000001E-03
 H    1.980300       1.781000       2.242000    
 H   0.2107000       1.788800       2.218700    
 H    1.078300      0.4017000       1.581700    
 H    1.683600       4.120700       1.008700    
 H  -6.8800002E-02   3.865100      0.9164000    
 H   0.8640000       4.140700     -0.5626000    
 H    1.331400      -1.716600      0.3967000    
 H   0.6573000      -3.054400     -0.5514000    
 H   -3.478700      -1.545900       2.043100    
 H   -1.965200      0.1161000      -1.658600    
 H   -5.575100     -0.3164000       1.718900    
 H   -4.049900       1.326800      -1.964100    
 H   -6.284100       1.880100      -1.144100    
 H   -6.903700       1.213100      0.3517000    


%chk=000028633-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028633

0 1
O -0.648753 -1.277733 -0.595760
O -1.321323 -1.917811 1.545898
N 2.752831 0.378973 -0.598693
N -6.569000 1.212646 -0.708159
C 4.194051 0.079596 -0.808809
C 2.495093 1.811128 -0.286891
C 5.002324 -0.074463 0.506913
C 1.239377 2.041935 0.595376
C 1.891930 -0.131172 -1.698917
C 1.553111 -1.631939 -1.550168
C 4.560790 -1.332471 1.286437
C 6.517774 -0.106407 0.199469
C 1.452587 1.488415 2.021467
C 0.881328 3.546370 0.624039
C 0.672787 -1.920424 -0.335084
C -1.579334 -1.344769 0.454027
C -2.855747 -0.674688 0.115071
C -3.888303 -0.647502 1.091924
C -3.090754 -0.058652 -1.144441
C -5.116422 -0.025806 0.827130
C -4.316412 0.565833 -1.421169
C -5.352717 0.594066 -0.438288
H 4.677492 0.862762 -1.447384
H 4.273195 -0.872567 -1.370061
H 2.400618 2.414173 -1.226262
H 3.373793 2.212539 0.255046
H 4.795749 0.812472 1.141084
H 0.390488 1.492650 0.137711
H 0.942525 0.432984 -1.692166
H 2.362689 0.043694 -2.698077
H 1.044137 -1.986408 -2.467787
H 2.484616 -2.222585 -1.445523
H 4.830662 -2.251634 0.729036
H 5.049112 -1.383051 2.277263
H 3.466882 -1.327639 1.436512
H 6.850365 0.821416 -0.303664
H 7.107758 -0.221600 1.127358
H 6.766262 -0.958709 -0.463026
H 2.219475 2.080733 2.559357
H 0.517813 1.525915 2.610185
H 1.794350 0.439383 1.979768
H 1.716091 4.141285 1.044473
H -0.009116 3.727304 1.253467
H 0.666866 3.933075 -0.390640
H 1.102952 -1.484753 0.583246
H 0.509067 -3.002112 -0.178249
H -3.699528 -1.125247 2.059267
H -2.300679 -0.080772 -1.900506
H -5.902514 -0.013344 1.591873
H -4.484872 1.035923 -2.397843
H -6.742714 1.652636 -1.607340
H -7.308952 1.233449 -0.012188


