%chk=000047176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047176

0 1
 O   0.2066000     -0.5038000      -2.332900    
 O  -0.2656000      0.2526000       2.277500    
 O    2.733200       2.681500     -0.2054000    
 N    1.537500       1.018600      -1.249500    
 N    1.302100       1.396000       1.053600    
 C   0.2975000     -0.6230000      8.7399997E-02
 C    1.329800      -1.728000      0.3742000    
 C   -1.108000      -1.240400      4.4799998E-02
 C   0.6385000     -3.7099998E-02  -1.279100    
 C   0.3810000      0.3757000       1.237400    
 C    1.077700      -2.343300       1.745600    
 C    1.282100      -2.791500     -0.7164000    
 C   -2.157200     -0.2087000     -0.2679000    
 C    1.927200       1.752200     -0.1354000    
 C   -2.501000     -6.1400000E-02  -1.727100    
 C   -2.800900      0.5259000      0.6596000    
 C   -3.880500       1.534600      0.4337000    
 H    2.343200      -1.303500      0.3808000    
 H   -1.207000      -2.047600     -0.6869000    
 H   -1.385600      -1.689800       1.005200    
 H   0.1021000      -2.824600       1.846100    
 H    1.815700      -3.137400       1.919000    
 H    1.220500      -1.639100       2.568900    
 H   0.3453000      -3.352800     -0.7501000    
 H    2.058900      -3.539900     -0.5103000    
 H    1.513600      -2.410900      -1.713300    
 H    1.888900       1.340900      -2.147000    
 H    1.480000       1.996600       1.853800    
 H   -3.573700      0.1049000      -1.873900    
 H   -1.963900      0.7798000      -2.174900    
 H   -2.279300     -0.9723000      -2.292700    
 H   -2.583300      0.3498000       1.709200    
 H   -3.659700       2.436400       1.014400    
 H   -4.840700       1.137600      0.7765000    
 H   -3.981600       1.843800     -0.6092000    


%chk=000047176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047176

0 1
O 0.553644 -0.790835 -2.491690
O -0.228420 0.452627 2.109510
O 2.856034 2.721022 -0.515736
N 1.722756 0.899530 -1.448340
N 1.363864 1.492099 0.803845
C 0.315826 -0.631807 -0.037073
C 1.326934 -1.819731 0.412468
C -1.161394 -1.148763 -0.130698
C 0.826530 -0.189513 -1.419410
C 0.420476 0.464559 1.033971
C 1.210397 -2.190452 1.910562
C 1.156878 -3.087540 -0.459258
C -2.237888 -0.082822 -0.339128
C 2.046685 1.768433 -0.391380
C -2.236212 0.641479 -1.675538
C -3.150561 0.141376 0.650726
C -4.307240 1.114494 0.653682
H 2.350251 -1.421472 0.243070
H -1.185155 -1.865123 -0.972655
H -1.378206 -1.701840 0.799121
H 0.184020 -2.498823 2.176005
H 1.882204 -3.044432 2.113704
H 1.495231 -1.365546 2.583568
H 0.222923 -3.621434 -0.208426
H 1.996899 -3.776271 -0.254808
H 1.147763 -2.862832 -1.538222
H 2.150322 1.121576 -2.353437
H 1.507696 2.164634 1.564365
H -3.171013 1.198889 -1.848751
H -1.406737 1.375313 -1.746632
H -2.092693 -0.068626 -2.510702
H -3.030475 -0.433350 1.581337
H -4.168547 1.877413 1.445346
H -5.257912 0.593619 0.880861
H -4.431479 1.645950 -0.304556


