%chk=000039845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039845

0 1
 O    1.911300      4.2800002E-02  -2.237300    
 O   -2.433200      -2.401600     -6.2300000E-02
 O   -2.473800       2.386800      3.7900001E-02
 O   -3.803600     -2.5599999E-02  0.3259000    
 N    2.568600      3.5999998E-02  1.6300000E-02
 N    4.600700     -6.3199997E-02   1.066500    
 C    2.236200      7.1699999E-02   1.419800    
 C    3.562500     -0.1757000       2.111300    
 C    3.952800      1.4200000E-02 -5.5399999E-02
 C    1.645100      4.8900001E-02  -1.038000    
 C   0.2184000      2.9600000E-02 -0.6794000    
 C    4.656600      8.1100002E-02  -1.373200    
 C  -0.4618000       1.227900     -0.4873000    
 C  -0.4408000      -1.187500     -0.5370000    
 C   -1.794000      -1.206200     -0.1989000    
 C   -1.815000       1.209100     -0.1491000    
 C   -2.481100     -8.0000004E-03 -4.9999999E-03
 C   -2.430000      -2.993500       1.235200    
 C   -2.478700       2.924000       1.359000    
 C   -4.739800     -1.1100000E-02 -0.7492000    
 H    1.487900     -0.6843000       1.675100    
 H    1.832300       1.061500       1.659500    
 H    3.738300      0.5521000       2.909600    
 H    3.598600      -1.179400       2.548700    
 H    4.403800     -0.7985000      -1.971400    
 H    5.739500      0.1066000      -1.223800    
 H    4.352800      0.9823000      -1.912600    
 H   5.5100001E-02   2.177800     -0.5998000    
 H   9.2500001E-02  -2.122800     -0.6885000    
 H   -2.924500      -2.338000       1.959100    
 H   -1.405500      -3.204500       1.557700    
 H   -2.981700      -3.936100       1.183200    
 H   -2.960700       2.230500       2.055300    
 H   -3.046500       3.858300       1.346900    
 H   -1.457500       3.139000       1.689100    
 H   -4.612200     -0.8940000      -1.383300    
 H   -4.627000      0.8994000      -1.346100    
 H   -5.747800     -2.8200001E-02 -0.3256000    


%chk=000039845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039845

0 1
O 2.107826 -1.236953 -1.733842
O -2.702584 -2.406576 -0.425288
O -1.975505 2.383198 0.631872
O -3.800128 0.150098 0.346925
N 2.806183 0.133544 0.029859
N 4.991656 0.481723 0.721278
C 2.653385 0.636598 1.433850
C 4.130610 0.626358 1.939234
C 4.217734 0.169691 -0.291248
C 1.815451 -0.506899 -0.735943
C 0.375125 -0.314292 -0.337746
C 4.735383 -0.077650 -1.678084
C -0.148532 0.929392 0.088656
C -0.493418 -1.422220 -0.494119
C -1.866657 -1.286168 -0.221515
C -1.532088 1.084076 0.332538
C -2.410954 -0.022738 0.155865
C -3.421963 -2.882304 0.779806
C -2.858184 2.553049 1.808300
C -4.601258 0.025201 -0.899600
H 1.978645 -0.014338 2.012009
H 2.244604 1.661918 1.437890
H 4.393007 1.555049 2.472483
H 4.337081 -0.222944 2.618037
H 4.586511 -1.128922 -1.972322
H 5.806535 0.174918 -1.695044
H 4.191143 0.530549 -2.421322
H 0.478973 1.819510 0.184209
H -0.106536 -2.383074 -0.844059
H -4.053034 -2.082389 1.206529
H -2.697123 -3.237460 1.536588
H -4.042984 -3.722317 0.434065
H -3.779647 1.959009 1.699699
H -3.086216 3.629237 1.836553
H -2.321306 2.258503 2.730834
H -4.453765 -0.969878 -1.354838
H -4.311944 0.819158 -1.611668
H -5.648224 0.157744 -0.587539


