%chk=000030611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030611

0 1
 O   0.6972000       2.622000       1.405900    
 O    4.125200      0.9304000      -1.261000    
 O  -0.5183000      0.4175000      -1.258700    
 N    2.389700       1.828000      1.3700000E-02
 N   -1.763800      7.2999999E-02  0.7078000    
 C   0.6040000      0.3186000      0.8320000    
 C    1.527500     -0.8140000      0.4914000    
 C    2.722700     -0.5980000     -0.1926000    
 C    1.238400       1.691800      0.8015000    
 C    3.140200      0.7742000     -0.5412000    
 C  -0.6135000      0.2771000     -4.3800000E-02
 C    1.169900      -2.130000      0.8313000    
 C    3.547600      -1.678400     -0.5374000    
 C    2.907000       3.174300     -0.2100000    
 C    1.991000      -3.205000      0.4923000    
 C    3.179500      -2.978700     -0.1942000    
 C   -3.094500     -2.3200000E-02  0.2363000    
 C   -4.121200     -0.2289000       1.142900    
 C   -3.342200      9.0099998E-02  -1.121700    
 C   -5.432900     -0.3241000      0.6782000    
 C   -4.654100     -4.8000002E-03  -1.586400    
 C   -5.699400     -0.2118000     -0.6864000    
 H   0.3324000      0.1759000       1.888100    
 H   0.2407000      -2.324800       1.361900    
 H    4.484500      -1.527300      -1.067300    
 H    2.191300       3.945000      8.6499996E-02
 H    3.151000       3.301000      -1.269500    
 H    3.826500       3.289800      0.3726000    
 H    1.701200      -4.216400      0.7612000    
 H   -1.666100     -2.2500001E-02   1.716000    
 H    3.821200      -3.813300     -0.4606000    
 H   -3.924900     -0.3178000       2.207700    
 H   -2.588500      0.2498000      -1.878400    
 H   -6.247000     -0.4854000       1.378900    
 H   -4.862900      8.2199998E-02  -2.648800    
 H   -6.720800     -0.2857000      -1.048200    


%chk=000030611-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030611

0 1
O 0.076719 1.991441 1.509018
O 4.062204 1.444438 -0.821534
O -0.826798 -1.588921 -0.657805
N 2.051414 1.696420 0.315603
N -1.766673 0.226906 0.504868
C 0.626094 -0.299720 0.912622
C 1.759246 -1.169346 0.417147
C 2.916393 -0.589667 -0.162167
C 0.904309 1.203138 0.942430
C 3.075484 0.880844 -0.272233
C -0.739297 -0.614299 0.138975
C 1.675752 -2.577397 0.517918
C 3.972171 -1.409720 -0.640003
C 2.273779 3.164249 0.270717
C 2.727072 -3.391575 0.049155
C 3.879113 -2.808205 -0.535083
C -3.123887 0.202913 0.069210
C -3.979373 1.216126 0.581329
C -3.640007 -0.771734 -0.825808
C -5.336698 1.254114 0.205691
C -5.002881 -0.718870 -1.191369
C -5.858475 0.285205 -0.683737
H 0.392873 -0.565548 1.964808
H 0.779265 -3.036563 0.944971
H 4.846720 -0.921738 -1.081591
H 1.416532 3.651937 0.753996
H 2.370203 3.488709 -0.777555
H 3.208465 3.416729 0.796727
H 2.647447 -4.480795 0.132010
H -1.488232 1.006234 1.128305
H 4.692010 -3.443502 -0.901642
H -3.578289 1.970731 1.269491
H -2.978966 -1.544393 -1.222307
H -5.985567 2.040450 0.606700
H -5.396085 -1.472723 -1.882702
H -6.913435 0.314732 -0.976151


