%chk=000005639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005639

0 1
 O    5.050100     -0.7267000      -1.737500    
 O   -7.011200      0.4365000      -1.744500    
 O   -4.542800       2.575100       1.571600    
 N    1.057800      -1.571100       1.256700    
 N    3.438200     -0.1776000      0.5145000    
 N   -3.001500      -1.513900     -7.3600002E-02
 N   -5.056800     -0.5423000     -0.9511000    
 N   -5.815100       1.553300     -0.1035000    
 C    1.510000      -1.563900     -0.1398000    
 C    2.217200      -1.550500       2.157200    
 C    2.337000     -0.3124000     -0.4440000    
 C    3.066700     -0.2980000       1.929900    
 C   0.2246000      -2.743700       1.520300    
 C   -1.003000      -2.736300      0.6072000    
 C    4.547500      0.6116000      0.1906000    
 C   -1.863900      -1.489300      0.7967000    
 C    5.350000      0.3337000     -0.9353000    
 C    4.895100       1.718300      0.9917000    
 C   -3.946800     -0.5114000     -9.9200003E-02
 C    6.453000       1.128900      -1.246300    
 C    5.998100       2.513500      0.6808000    
 C    6.777100       2.218600     -0.4382000    
 C   -3.789900      0.5332000      0.7311000    
 C   -6.031700      0.4751000     -0.9917000    
 C   -4.744000       1.655400      0.7812000    
 C   -5.213500      -1.691100      -1.846800    
 C    5.901800     -0.9514000      -2.858800    
 C   -6.804000       2.626400     -0.1192000    
 H    2.103200      -2.460800     -0.3635000    
 H   0.6775000      -1.532700     -0.8478000    
 H    1.882100      -1.552300       3.201500    
 H    2.837100      -2.445600       2.011300    
 H    1.700100      0.5800000     -0.3798000    
 H    2.686100     -0.3726000      -1.479300    
 H    3.958800     -0.3784000       2.563700    
 H    2.501400      0.5886000       2.245000    
 H   0.7834000      -3.676400       1.370200    
 H  -0.1139000      -2.732200       2.564000    
 H  -0.7512000      -2.894200     -0.4470000    
 H   -1.612200      -3.612600      0.8709000    
 H   -2.183100      -1.450400       1.846000    
 H   -1.262500     -0.5981000      0.5840000    
 H    4.306300       1.994000       1.862800    
 H   -3.127200      -2.299000     -0.7012000    
 H    7.103800      0.9625000      -2.097600    
 H    6.248600       3.364600       1.307300    
 H    7.635200       2.839200     -0.6797000    
 H   -2.961900      0.6371000       1.423900    
 H   -4.349100      -1.748300      -2.516100    
 H   -5.295500      -2.605700      -1.250800    
 H   -6.113100      -1.606400      -2.462400    
 H    5.863800     -0.1182000      -3.568800    
 H    6.924700      -1.190400      -2.548300    
 H    5.516400      -1.831900      -3.383500    
 H   -6.870200       3.031000      -1.134200    
 H   -7.779500       2.207900      0.1487000    
 H   -6.552900       3.431700      0.5753000    


%chk=000005639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005639

0 1
O 5.100657 -0.599771 -1.787973
O -7.313016 0.171871 -1.506779
O -4.675087 2.920013 1.235164
N 1.100097 -1.578286 1.045937
N 3.573954 -0.164653 0.508622
N -3.159524 -1.508384 -0.020020
N -5.244571 -0.649113 -0.760432
N -5.999033 1.540366 -0.141178
C 1.688691 -1.550400 -0.318942
C 2.175727 -1.476334 2.064341
C 2.516879 -0.273656 -0.526587
C 3.009888 -0.196445 1.871146
C 0.238175 -2.761801 1.282782
C -1.072088 -2.739048 0.466773
C 4.719732 0.634589 0.258107
C -1.887399 -1.458501 0.719230
C 5.526727 0.427100 -0.916009
C 5.162760 1.623242 1.180058
C -4.061479 -0.464574 -0.020388
C 6.686789 1.197020 -1.143344
C 6.338789 2.375979 0.962345
C 7.100498 2.172306 -0.204469
C -3.844287 0.729860 0.663067
C -6.253029 0.359439 -0.837253
C -4.801712 1.804973 0.639755
C -5.498284 -1.895289 -1.505174
C 5.960163 -0.920090 -2.928246
C -7.038093 2.589648 -0.215986
H 2.344097 -2.440410 -0.494316
H 0.875110 -1.568251 -1.066765
H 1.711210 -1.455470 3.068268
H 2.865713 -2.356994 2.018034
H 1.837945 0.608922 -0.470713
H 2.987627 -0.299400 -1.519395
H 3.833764 -0.199721 2.606326
H 2.363623 0.690918 2.072389
H 0.780047 -3.718542 1.064658
H -0.015278 -2.776469 2.361110
H -0.857436 -2.835916 -0.615604
H -1.666629 -3.629562 0.757131
H -2.080192 -1.345434 1.807077
H -1.296165 -0.578155 0.406109
H 4.565220 1.822250 2.074840
H -3.404926 -2.384720 -0.477402
H 7.289473 1.030563 -2.041381
H 6.642831 3.128067 1.698351
H 8.007146 2.757164 -0.391067
H -2.940261 0.890612 1.247007
H -4.721732 -2.066689 -2.273874
H -5.560099 -2.766515 -0.825385
H -6.471272 -1.774125 -2.004680
H 6.034850 -0.069959 -3.634429
H 6.974562 -1.214147 -2.595580
H 5.471016 -1.771287 -3.425238
H -7.186575 2.907191 -1.261531
H -7.996803 2.205077 0.169478
H -6.682591 3.431341 0.396631


