%chk=000045285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045285

0 1
 O    2.320000     -0.6615000     -0.3771000    
 O    2.737200      -2.833300      0.4164000    
 O    4.173900       1.525400     -0.4016000    
 O    4.969100       3.076100       1.102600    
 N    4.545100       3.645700      -1.084300    
 C    1.804700      -2.000300     -0.2922000    
 C   0.4841000      -1.964700      0.4667000    
 C  -0.5592000      -1.123000     -0.2696000    
 C    3.688500     -0.7748000      2.3300000E-02
 C   -1.903300      -1.045600      0.4616000    
 C    3.661300      -1.918700       1.007800    
 C   -2.968800     -0.2653000     -0.3130000    
 C    1.621300      -2.560100      -1.697000    
 C   -4.329900     -0.2385000      0.3901000    
 C    4.180600      0.5304000      0.6111000    
 C   -5.389800      0.5623000     -0.3696000    
 C   -6.723600      0.5675000      0.3809000    
 C   -7.794600       1.334600     -0.3941000    
 C   -9.112200       1.370600      0.3638000    
 C    4.595700       2.773100     -2.5699999E-02
 H   0.1096000      -2.983800      0.6244000    
 H   0.6447000      -1.539800       1.465900    
 H  -0.7548000      -1.545900      -1.260800    
 H  -0.1844000     -0.1040000     -0.4226000    
 H    4.261000      -1.037500     -0.8750000    
 H   -1.754500     -0.5797000       1.443400    
 H   -2.269300      -2.063300      0.6457000    
 H    4.635900      -2.394600       1.144100    
 H    3.265500      -1.621000       1.985300    
 H   -3.090800     -0.7098000      -1.308500    
 H   -2.620100      0.7634000     -0.4658000    
 H    1.096300      -1.868000      -2.362000    
 H    1.101800      -3.524000      -1.680600    
 H    2.600200      -2.741400      -2.157800    
 H   -4.204800      0.1889000       1.392800    
 H   -4.682500      -1.268400      0.5267000    
 H    3.516400      0.8530000       1.422100    
 H    5.198600      0.4084000      0.9986000    
 H   -5.528300      0.1287000      -1.367300    
 H   -5.041300       1.592600     -0.5096000    
 H   -6.585800       1.023000       1.369100    
 H   -7.058800     -0.4640000      0.5445000    
 H   -7.953800      0.8662000      -1.372300    
 H   -7.458200       2.361800     -0.5770000    
 H   -9.863800       1.923000     -0.2088000    
 H   -8.993600       1.864300       1.333700    
 H   -9.492800      0.3589000      0.5370000    
 H    4.823100       4.616100     -0.9831000    
 H    4.228000       3.347000      -2.000500    


%chk=000045285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045285

0 1
O 2.487076 -0.927475 -0.827421
O 2.959296 -2.947245 0.315584
O 3.874594 1.688096 -0.308978
O 3.831510 3.321648 1.392762
N 4.170944 3.870119 -0.868529
C 1.941173 -2.293631 -0.546390
C 0.608152 -2.157351 0.219422
C -0.493894 -1.396758 -0.550913
C 3.668309 -0.696033 0.040170
C -1.755802 -1.158830 0.308106
C 3.623517 -1.866129 1.055929
C -2.883249 -0.430942 -0.457886
C 1.863041 -3.082631 -1.850028
C -4.145222 -0.184786 0.398906
C 3.581705 0.664585 0.717709
C -5.276043 0.536602 -0.368797
C -6.538956 0.782503 0.486905
C -7.669743 1.502871 -0.282664
C -8.928698 1.744196 0.577973
C 3.948556 3.007981 0.181874
H 0.257923 -3.176432 0.476356
H 0.810781 -1.633894 1.175139
H -0.779070 -1.964867 -1.459267
H -0.085718 -0.426530 -0.895167
H 4.576347 -0.744319 -0.590665
H -1.481677 -0.565830 1.205989
H -2.137968 -2.131607 0.683541
H 4.620193 -2.233582 1.344221
H 3.049854 -1.590247 1.965873
H -3.159648 -1.025471 -1.354013
H -2.500528 0.539974 -0.836028
H 1.225518 -2.555128 -2.578075
H 1.442486 -4.086817 -1.667362
H 2.873212 -3.189528 -2.276691
H -3.870081 0.413639 1.292767
H -4.524445 -1.155925 0.780922
H 2.572690 0.835270 1.134064
H 4.324573 0.753091 1.534188
H -5.550914 -0.061720 -1.262983
H -4.897114 1.507891 -0.750597
H -6.266342 1.382240 1.380744
H -6.919046 -0.188117 0.869439
H -7.940968 0.903286 -1.175899
H -7.289123 2.472418 -0.664349
H -9.720667 2.259288 0.003433
H -8.692161 2.367550 1.461091
H -9.346170 0.787844 0.946132
H 4.255720 4.863449 -0.674212
H 4.229678 3.517282 -1.820624


