%chk=000017982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017982

0 1
 O   0.8546000       1.061400      0.2854000    
 O   -1.016900      0.7776000      -1.606300    
 O  -0.9437000       2.004500       1.365000    
 N    4.899900     -0.2157000      0.5241000    
 C    3.168100       1.561200      0.6097000    
 C    3.360100       1.829400     -0.8871000    
 C    3.529000      0.1050000      0.9489000    
 C    4.759100       1.413700      -1.329300    
 C    5.065200     -2.7899999E-02 -0.9234000    
 C    1.735300       1.877400       1.034600    
 C    5.246700      -1.584900      0.9050000    
 C   -1.325700      0.2514000     -0.2995000    
 C  -0.4891000       1.217400      0.5433000    
 C   -2.830900      0.3384000     -3.5799999E-02
 C  -0.8370000      -1.195400     -0.1989000    
 C   -3.262800      0.5306000       1.256200    
 C  -0.8421000      -1.972700      -1.334400    
 C   -3.693900      0.2217000      -1.100900    
 C  -0.4107000      -1.663300       1.022700    
 C   -1.410600       2.131600      -1.706700    
 C   -4.634400      0.6103000       1.496800    
 C  -0.3964000      -3.291300      -1.242900    
 C   -5.065600      0.3015000     -0.8603000    
 C   3.5200000E-02  -2.981900       1.114000    
 C   -5.535800      0.4958000      0.4385000    
 C   4.2199999E-02  -3.795800     -1.8900000E-02
 H    3.840300       2.224300       1.171500    
 H    2.625900       1.271000      -1.481000    
 H    3.204700       2.892500      -1.105200    
 H    2.817200     -0.5883000      0.4812000    
 H    3.444000     -2.9300001E-02   2.034800    
 H    5.499800       2.087800     -0.8806000    
 H    4.849300       1.519000      -2.416400    
 H    6.099900     -0.2509000      -1.211100    
 H    4.416000     -0.7140000      -1.483500    
 H    1.513000       2.933600      0.8409000    
 H    1.606200       1.679900       2.105400    
 H    6.284300      -1.808800      0.6336000    
 H    5.172600      -1.712800       1.990700    
 H    4.596800      -2.325700      0.4252000    
 H   -2.598800      0.5601000       2.112600    
 H   -1.187600      -1.603300      -2.294500    
 H   -3.354200      5.0000001E-02  -2.117200    
 H  -0.4189000      -1.051000       1.918700    
 H   -2.250400       2.463700      -1.089800    
 H  -0.5499000       2.780500      -1.508100    
 H   -1.687600       2.312100      -2.750900    
 H   -5.001600      0.7463000       2.509800    
 H  -0.3928000      -3.925900      -2.124300    
 H   -5.767900      0.2069000      -1.683400    
 H   0.3746000      -3.375600       2.067600    
 H   -6.604000      0.5532000      0.6264000    
 H   0.3884000      -4.822700      5.2499998E-02


%chk=000017982-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017982

0 1
O 0.832066 1.169739 0.214383
O -1.607897 1.181540 -1.889091
O -0.809375 2.757906 0.616042
N 4.752743 -0.448717 0.977842
C 3.238670 1.470810 0.472203
C 3.513330 1.289478 -1.040790
C 3.401834 0.121067 1.210499
C 4.893642 0.633299 -1.261039
C 5.001565 -0.683885 -0.466620
C 1.873710 2.106840 0.744189
C 4.972377 -1.667837 1.780949
C -1.423621 0.615908 -0.516423
C -0.471743 1.622441 0.195214
C -2.780730 0.452999 0.190070
C -0.745003 -0.750636 -0.727685
C -3.083600 0.985482 1.465612
C -0.108432 -1.067649 -1.950651
C -3.771288 -0.303653 -0.491550
C -0.717831 -1.690578 0.331447
C -2.400027 2.420646 -1.990521
C -4.351892 0.758911 2.051565
C 0.544703 -2.310631 -2.111179
C -5.037940 -0.519384 0.086839
C -0.058159 -2.928475 0.173370
C -5.333099 0.010072 1.366538
C 0.577161 -3.244438 -1.050253
H 4.000126 2.166266 0.885150
H 2.720755 0.648563 -1.473899
H 3.463069 2.268077 -1.557821
H 2.596240 -0.579248 0.871500
H 3.276151 0.272531 2.300765
H 5.695016 1.318751 -0.923105
H 5.056002 0.429540 -2.336847
H 6.014589 -1.115065 -0.576781
H 4.271252 -1.427254 -0.886449
H 1.756048 3.080103 0.233076
H 1.681192 2.249444 1.824307
H 6.003511 -2.034307 1.627797
H 4.847543 -1.435949 2.854259
H 4.266877 -2.499215 1.523534
H -2.347343 1.592852 1.998870
H -0.138655 -0.341205 -2.766508
H -3.534920 -0.717570 -1.478345
H -1.218905 -1.459373 1.278423
H -3.429049 2.271300 -1.614292
H -1.927217 3.252345 -1.437624
H -2.422909 2.642109 -3.069311
H -4.572151 1.176244 3.040567
H 1.028956 -2.548986 -3.065294
H -5.791618 -1.103016 -0.453627
H -0.045489 -3.647415 1.000493
H -6.315458 -0.160306 1.821316
H 1.084324 -4.207870 -1.176415


