%chk=000017999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017999

0 1
 O  -0.6115000      4.2399999E-02 -0.5803000    
 O    1.702600      1.6200000E-02  -1.913100    
 O   0.3239000      -1.864900      0.3004000    
 N   -4.298100      1.2300000E-02 -0.6085000    
 C   -4.696200      0.1642000      0.7871000    
 C   -5.769000     -0.8556000       1.206400    
 C   -2.942600      0.5239000     -0.8154000    
 C   -5.241700      0.7008000      -1.490400    
 C    1.777000     -5.4299999E-02 -0.4746000    
 C   -1.909500     -0.4875000     -0.3452000    
 C   -6.230600     -0.6612000       2.653000    
 C   -5.229600      -2.276900       1.025000    
 C    3.003100     -0.8644000     -4.6900000E-02
 C    1.827100       1.360000      0.1078000    
 C   0.4430000     -0.7562000     -0.2075000    
 C   -4.876500      0.4972000      -2.951100    
 C    2.967400      -1.616000       1.127800    
 C    2.444300       2.386900     -0.6066000    
 C    4.156300     -0.8517000     -0.8319000    
 C    1.255100       1.622600       1.352700    
 C    4.084700      -2.354500       1.517600    
 C    2.489900       3.676100     -7.5900003E-02
 C    5.273400      -1.590400     -0.4419000    
 C    1.300600       2.911900       1.883200    
 C    1.601000      -1.277700      -2.473300    
 C    5.237600      -2.341700      0.7328000    
 C    1.918000       3.938600       1.168800    
 H   -3.846700      2.6900001E-02   1.467100    
 H   -5.053500       1.184400      0.9848000    
 H   -6.655700     -0.7432000      0.5712000    
 H   -2.792400       1.491900     -0.3177000    
 H   -2.698400      0.7092000      -1.865100    
 H   -6.248300      0.2924000      -1.347700    
 H   -5.294700       1.775600      -1.274600    
 H   -2.007100     -0.7036000      0.7235000    
 H   -2.021000      -1.424500     -0.9051000    
 H   -5.399100     -0.7869000       3.354800    
 H   -7.009900      -1.384300       2.915500    
 H   -6.643200      0.3433000       2.793400    
 H   -5.001300      -2.492500     -2.3700001E-02
 H   -5.970900      -3.014900       1.351000    
 H   -4.318800      -2.436200       1.612600    
 H   -5.745700      0.7318000      -3.576700    
 H   -4.598200     -0.5408000      -3.163700    
 H   -4.074600       1.161000      -3.286900    
 H    2.112400      -1.607600       1.796100    
 H    2.904200       2.206100      -1.574000    
 H    4.218500     -0.2612000      -1.741800    
 H   0.7786000      0.8375000       1.933200    
 H    4.062200      -2.928800       2.439100    
 H    2.972400       4.475300     -0.6309000    
 H    6.173000      -1.576800      -1.050300    
 H   0.8578000       3.115900       2.853600    
 H    2.079800      -1.242500      -3.457800    
 H   0.5482000      -1.518400      -2.660300    
 H    2.059500      -2.104700      -1.923900    
 H    6.108900      -2.913400       1.038400    
 H    1.954400       4.942100       1.582400    


%chk=000017999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017999

0 1
O -0.561957 0.070504 -0.453158
O 2.108186 -0.365273 -2.143552
O 0.182011 -2.124628 -0.502405
N -4.287772 0.397026 -0.264737
C -4.740978 0.062939 1.111164
C -5.823938 -1.047423 1.159727
C -2.865779 0.810930 -0.333493
C -5.215073 1.309419 -0.983803
C 1.845229 -0.270293 -0.673741
C -1.972792 -0.428445 -0.458398
C -6.383162 -1.177685 2.595766
C -5.264842 -2.391637 0.644649
C 2.943168 -0.999888 0.121523
C 1.854153 1.235817 -0.352014
C 0.429697 -0.892374 -0.496741
C -5.124368 1.175751 -2.515688
C 2.695743 -1.982907 1.108718
C 1.773926 2.204590 -1.378981
C 4.285148 -0.619642 -0.148236
C 1.919009 1.659644 0.998099
C 3.771193 -2.569205 1.818027
C 1.762060 3.581109 -1.058245
C 5.356374 -1.212011 0.549487
C 1.896835 3.033806 1.318219
C 2.315118 -1.720011 -2.686890
C 5.102625 -2.190055 1.541533
C 1.818333 4.001984 0.289820
H -3.864302 -0.289329 1.690390
H -5.123124 0.972332 1.640552
H -6.657709 -0.743887 0.491921
H -2.548477 1.409672 0.551499
H -2.707177 1.448675 -1.220236
H -6.243285 1.053953 -0.667995
H -5.049980 2.376043 -0.686578
H -2.105207 -1.133962 0.381574
H -2.160719 -0.970273 -1.401487
H -5.582237 -1.463195 3.305553
H -7.165821 -1.956641 2.645752
H -6.825080 -0.226269 2.948353
H -4.820028 -2.261907 -0.357619
H -6.059390 -3.158226 0.582850
H -4.479190 -2.774881 1.325820
H -5.840554 1.861137 -3.006396
H -5.356275 0.141043 -2.822952
H -4.114968 1.424233 -2.891284
H 1.673765 -2.311131 1.315264
H 1.728155 1.870645 -2.418263
H 4.476205 0.144761 -0.909843
H 1.998340 0.916283 1.799847
H 3.564483 -3.328470 2.580723
H 1.705896 4.324240 -1.862131
H 6.385693 -0.908662 0.327362
H 1.947786 3.349267 2.366613
H 2.515392 -1.557215 -3.757750
H 1.418033 -2.352373 -2.557132
H 3.181717 -2.215693 -2.211445
H 5.933085 -2.648811 2.089992
H 1.806926 5.069798 0.536893


