%chk=000038912.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038912

0 1
 O    7.036200       1.415300      -1.298100    
 O   -2.115800      -1.019400     -0.1954000    
 O   -1.894100       1.300700     -0.2346000    
 O   -8.780600       1.410000      0.7527000    
 O   -8.898300     -0.4984000     -0.3343000    
 N   -8.237800      0.4402000      0.1716000    
 C    4.393300      0.5150000      0.8930000    
 C    4.773100       1.284600     -0.3997000    
 C    4.297100      -1.033500      0.7329000    
 C    3.561800      -1.480400     -0.5500000    
 C    4.186800      0.7032000      -1.688600    
 C    5.522900      0.8902000       1.872700    
 C    4.245600     -0.8161000      -1.754800    
 C    3.640000      -1.721000       1.940000    
 C    6.294900       1.211900     -0.3442000    
 C    6.800400      0.8775000       1.037500    
 C    4.392300       2.774300     -0.3100000    
 C    2.047900      -1.325800     -0.4507000    
 C    2.175700      -1.328700       2.104800    
 C    1.408300      -1.287700      0.8068000    
 C    1.245000      -1.310800      -1.605100    
 C   8.8000000E-03  -1.172500      0.8775000    
 C  -0.1449000      -1.204800      -1.521200    
 C  -0.7631000      -1.129200     -0.2800000    
 C   -2.587100      0.2956000     -0.1867000    
 C   -4.068500      0.3334000     -9.2699997E-02
 C   -4.669200       1.398600      0.5465000    
 C   -4.798400     -0.6977000     -0.6476000    
 C   -6.060800       1.434000      0.6348000    
 C   -6.190100     -0.6623000     -0.5592000    
 C   -6.821200      0.4036000      8.2000002E-02
 H    3.441700      0.9021000       1.272700    
 H    5.318500      -1.433000      0.6636000    
 H    3.724300      -2.563400     -0.6594000    
 H    4.712600       1.110200      -2.561600    
 H    3.141200       1.020300      -1.790600    
 H    5.602500      0.2208000       2.733500    
 H    5.352300       1.896800       2.273400    
 H    3.814700      -1.159000      -2.701200    
 H    5.297400      -1.130700      -1.785200    
 H    3.701800      -2.808800       1.798600    
 H    4.183100      -1.508100       2.866700    
 H    7.261200     -0.1138000       1.020200    
 H    7.514800       1.627200       1.384900    
 H    3.310400       2.895400     -0.1873000    
 H    4.884100       3.284600      0.5248000    
 H    4.689200       3.307500      -1.221000    
 H    2.107500     -0.3426000       2.579700    
 H    1.701100      -2.044900       2.787100    
 H    1.684900      -1.386900      -2.595100    
 H  -0.4804000      -1.121300       1.848300    
 H  -0.7367000      -1.186600      -2.432500    
 H   -4.087400       2.204700      0.9836000    
 H   -4.330300      -1.530900      -1.163100    
 H   -6.517700       2.279800       1.142400    
 H   -6.750000      -1.480900      -1.004100    


%chk=000038912-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000038912

0 1
O 7.261802 0.821636 -1.680194
O -2.151109 -0.453633 -0.181488
O -2.600009 -0.028264 2.091994
O -9.342034 0.862140 0.258687
O -8.803122 0.432191 -1.915947
N -8.495020 0.570644 -0.670285
C 4.580521 0.582078 0.757527
C 5.005760 1.098793 -0.657851
C 4.359973 -0.962343 0.828248
C 3.547255 -1.530638 -0.370512
C 4.316775 0.407303 -1.856503
C 5.777782 1.009049 1.674015
C 4.238235 -1.122983 -1.696830
C 3.673120 -1.399468 2.146622
C 6.540321 0.897615 -0.656167
C 7.041984 0.822653 0.795012
C 4.778057 2.640940 -0.767792
C 2.052606 -1.180437 -0.276843
C 2.247905 -0.819948 2.272524
C 1.440682 -0.893184 0.978313
C 1.224882 -1.212657 -1.431471
C 0.046243 -0.642520 1.059400
C -0.157262 -0.967296 -1.363899
C -0.738316 -0.680955 -0.110238
C -2.979476 -0.145365 0.903085
C -4.395143 0.029152 0.448787
C -5.364133 0.350202 1.435930
C -4.783152 -0.113637 -0.909408
C -6.711771 0.529366 1.077391
C -6.128559 0.062878 -1.281848
C -7.071677 0.382249 -0.280444
H 3.649119 1.093509 1.063335
H 5.358049 -1.449332 0.785070
H 3.612817 -2.639047 -0.293566
H 4.883221 0.662671 -2.772497
H 3.296551 0.822666 -1.971839
H 5.823850 0.412242 2.601095
H 5.673844 2.066150 1.977749
H 3.731893 -1.569763 -2.572324
H 5.262515 -1.546495 -1.692215
H 3.622124 -2.506462 2.157860
H 4.270779 -1.101740 3.028861
H 7.513727 -0.168172 0.942137
H 7.835461 1.571226 0.969058
H 3.697866 2.860634 -0.681816
H 5.305679 3.209147 0.019269
H 5.132443 3.007714 -1.747839
H 2.300308 0.240219 2.595271
H 1.699575 -1.345222 3.077801
H 1.664668 -1.438301 -2.407918
H -0.414215 -0.424003 2.024494
H -0.788274 -0.995259 -2.256995
H -5.038223 0.454057 2.475335
H -4.027782 -0.360968 -1.658463
H -7.479005 0.777071 1.815017
H -6.459110 -0.039801 -2.318392


