%chk=000047826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047826

0 1
 O   -11.94940      0.6786000      0.8022000    
 O   -10.44720       2.233300      0.1087000    
 N    2.927400     -0.4185000      -1.325400    
 N    5.999100       1.173200       1.018100    
 C   -4.804500      -1.417100      0.1193000    
 C   -5.856000     -0.3121000     -1.7200001E-02
 C   -3.390900     -0.9614000     -0.2491000    
 C   -7.274300     -0.7744000      0.3261000    
 C   -2.386100      -2.107600     -0.1058000    
 C   -8.282700      0.3679000      0.1588000    
 C  -0.9828000      -1.661400     -0.4279000    
 C   -9.705800     -4.8999999E-02  0.5310000    
 C  -0.1615000      -1.159400      0.5816000    
 C  -0.5054000      -1.750500      -1.735600    
 C    3.962800      0.1181000     -0.5355000    
 C    1.614400     -0.8357000      -1.024000    
 C    4.063500       1.503500     -0.3724000    
 C    4.881200     -0.7392000      7.9000004E-02
 C    1.137100     -0.7466000      0.2836000    
 C   0.7931000      -1.337600      -2.033700    
 C    5.111900       1.994500      0.4240000    
 C    5.897400     -0.1604000      0.8578000    
 C   -10.70360       1.084500      0.4409000    
 C    3.154500       2.388300     -0.9781000    
 C    4.803600      -2.135100     -6.7699999E-02
 C    5.217600       3.372900      0.5902000    
 C    6.814800      -1.008700       1.472200    
 C    3.282100       3.762200     -0.7962000    
 C    5.733100      -2.961200      0.5571000    
 C    4.315900       4.255000     -1.0300000E-02
 C    6.740700      -2.396400       1.328500    
 H   -4.808400      -1.788000       1.151800    
 H   -5.089300      -2.261100     -0.5213000    
 H   -5.579900      0.5259000      0.6349000    
 H   -5.840600      6.9200002E-02  -1.045900    
 H   -3.383700     -0.5842000      -1.279500    
 H   -3.099500     -0.1232000      0.3964000    
 H   -7.299400      -1.140600       1.359400    
 H   -7.557100      -1.611900     -0.3227000    
 H   -2.666300      -2.940200     -0.7637000    
 H   -2.414700      -2.510100      0.9150000    
 H   -7.978300       1.216500      0.7846000    
 H   -8.267300      0.7252000     -0.8786000    
 H   -10.04020     -0.8489000     -0.1391000    
 H   -9.718700     -0.4230000       1.561100    
 H  -0.5228000      -1.083400       1.603800    
 H   -1.136600      -2.138100      -2.530800    
 H    3.186500     -0.5195000      -2.302600    
 H    1.755500     -0.3591000       1.088700    
 H    1.152400      -1.412000      -3.056900    
 H    2.337300       2.037100      -1.602900    
 H    4.031500      -2.609800     -0.6676000    
 H    6.019200       3.783700       1.201300    
 H    7.613700     -0.5903000       2.081900    
 H    2.579500       4.443600      -1.265900    
 H    5.671900      -4.038900      0.4414000    
 H    4.424700       5.325400      0.1380000    
 H    7.471400      -3.031900       1.820100    
 H   -12.60000       1.411200      0.7558000    


%chk=000047826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047826

0 1
O -12.283787 -0.062676 0.789643
O -10.942974 1.680805 0.047839
N 2.793386 0.273564 -1.361928
N 6.385150 0.926306 0.927534
C -4.902603 -1.522908 0.165567
C -6.025068 -0.470673 0.023021
C -3.503279 -0.963158 -0.171961
C -7.424984 -1.017170 0.382431
C -2.378938 -2.030658 -0.061712
C -8.540366 0.038127 0.218190
C -1.001903 -1.472443 -0.387255
C -9.927116 -0.518490 0.591305
C -0.085096 -1.116288 0.634692
C -0.605962 -1.244286 -1.731216
C 3.942177 0.464034 -0.565468
C 1.557195 -0.334658 -1.006996
C 4.573070 1.754519 -0.568953
C 4.549838 -0.600090 0.182054
C 1.172549 -0.549663 0.342857
C 0.652031 -0.692664 -2.043203
C 5.816845 1.920538 0.174634
C 5.761649 -0.295617 0.939784
C -11.042398 0.496126 0.434399
C 4.023646 2.897420 -1.248892
C 4.073158 -1.957592 0.171924
C 6.481147 3.197242 0.143380
C 6.377534 -1.340218 1.716719
C 4.689402 4.121929 -1.249366
C 4.710400 -2.946514 0.917377
C 5.939759 4.269713 -0.558685
C 5.863500 -2.632494 1.714495
H -4.898859 -1.919087 1.202834
H -5.122795 -2.387216 -0.496130
H -5.794956 0.400854 0.670489
H -6.037625 -0.087902 -1.018719
H -3.507502 -0.547190 -1.200067
H -3.265823 -0.116859 0.503756
H -7.414086 -1.387110 1.429323
H -7.649143 -1.897250 -0.256609
H -2.623347 -2.867918 -0.746589
H -2.384197 -2.448320 0.964170
H -8.317987 0.921664 0.846856
H -8.560610 0.404829 -0.826022
H -10.183680 -1.400436 -0.028529
H -9.943878 -0.879363 1.638755
H -0.363723 -1.275886 1.683691
H -1.287238 -1.515545 -2.547469
H 2.775367 0.801976 -2.236552
H 1.849105 -0.268172 1.155510
H 0.944308 -0.548660 -3.091013
H 3.047384 2.822857 -1.742092
H 3.202151 -2.217179 -0.435052
H 7.419371 3.280158 0.700474
H 7.270743 -1.068988 2.287773
H 4.250161 4.983774 -1.763568
H 4.334617 -3.975171 0.890770
H 6.454106 5.236899 -0.572604
H 6.344976 -3.419791 2.305061
H -12.994000 0.626270 0.676243


