%chk=000117877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117877

0 1
 O    1.978200       2.986800      0.5323000    
 O  -0.1888000       1.844800     -0.4599000    
 O   -7.391400      0.7310000     -0.4489000    
 N   -5.041700       1.041800     -0.4351000    
 N   -5.875500     -0.9872000      0.1585000    
 N  -0.3925000     -0.3894000      0.2273000    
 C   -3.973400      0.2007000     -0.1234000    
 C   -4.484000      -1.041800      0.2403000    
 C   -1.794500     -0.5925000      0.2251000    
 C    3.771300     -0.7040000     -0.2199000    
 C    1.770500      0.6667000     -2.9999999E-02
 C   -2.621800      0.4604000     -0.1415000    
 C    4.565500      0.4234000      9.8700002E-02
 C   -3.669900      -2.090100      0.6048000    
 C    2.375000     -0.5655000     -0.2802000    
 C   -2.292300      -1.850500      0.5942000    
 C    2.551400       1.775300      0.2833000    
 C   0.3195000      0.7714000     -0.1014000    
 C    3.939900       1.655900      0.3475000    
 C   -6.255600      0.3175000     -0.2658000    
 C    4.396700      -1.936500     -0.4688000    
 C    5.961700      0.2849000      0.1589000    
 C    5.785300      -2.055900     -0.4046000    
 C    6.566300     -0.9473000     -9.1300003E-02
 H   -2.306600       1.448000     -0.4346000    
 H   -4.068200      -3.057200      0.8876000    
 H    1.788900      -1.436300     -0.5664000    
 H   -1.615700      -2.653900      0.8758000    
 H   -4.954000       2.005800     -0.7318000    
 H   -6.499800      -1.756000      0.3689000    
 H   0.1325000      -1.198000      0.5496000    
 H    4.544100       2.527600      0.5935000    
 H    3.806800      -2.816800     -0.7153000    
 H    6.592100       1.137800      0.4019000    
 H    6.256700      -3.014800     -0.5992000    
 H    7.647300      -1.040900     -4.1499998E-02
 H    2.675700       3.634500      0.7315000    


%chk=000117877-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117877

0 1
O 1.922359 2.773455 1.038446
O -0.168139 1.738214 -0.864986
O -7.559008 0.454243 -0.922423
N -5.179908 0.806707 -0.873131
N -5.990544 -0.963032 0.222761
N -0.425596 -0.230567 0.399753
C -4.075962 0.152239 -0.298741
C -4.595023 -0.980050 0.402891
C -1.836301 -0.429964 0.365735
C 3.875804 -0.715884 -0.396517
C 1.817601 0.606622 -0.006485
C -2.707059 0.452301 -0.334096
C 4.671734 0.360773 0.155905
C -3.732312 -1.845768 1.093513
C 2.453443 -0.554929 -0.458275
C -2.348841 -1.559353 1.066793
C 2.620876 1.664364 0.550108
C 0.327985 0.784626 -0.196676
C 4.011071 1.539909 0.627676
C -6.393648 0.140301 -0.570596
C 4.529349 -1.900485 -0.868730
C 6.096046 0.205077 0.218684
C 5.918940 -2.025168 -0.795604
C 6.705972 -0.962760 -0.246687
H -2.298193 1.317500 -0.858529
H -4.107059 -2.717637 1.638337
H 1.853129 -1.355142 -0.908873
H -1.657241 -2.223456 1.599282
H -5.159155 1.652032 -1.438834
H -6.665525 -1.628589 0.591164
H 0.104962 -0.897713 0.965398
H 4.613382 2.348493 1.063173
H 3.922185 -2.709619 -1.292125
H 6.703373 1.016844 0.636321
H 6.412474 -2.932745 -1.158897
H 7.795020 -1.070181 -0.195036
H 2.543508 3.469041 1.369403


