%chk=000128059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128059

0 1
 I    2.688100       3.024800     -0.9083000    
 O   0.1047000      -2.526400      0.3031000    
 O    3.985100      0.1960000      8.2400002E-02
 N   -3.846400      0.3511000      8.3899997E-02
 C   -2.418300      0.5489000      0.3489000    
 C   -1.594500     -0.3938000     -0.5472000    
 C  -0.1022000     -0.2379000     -0.3782000    
 C   -2.167800      0.3099000       1.838000    
 C   0.6667000      -1.313900      3.8100000E-02
 C   -4.135000      0.5696000      -1.331900    
 C   -4.646300       1.247500      0.9157000    
 C   0.4733000      0.9948000     -0.6471000    
 C    2.044000      -1.153800      0.1891000    
 C    1.850400       1.155100     -0.4960000    
 C    2.635900      8.0799997E-02 -7.7900000E-02
 C   1.0300000E-02  -3.447800     -0.7814000    
 C    4.452000      0.5952000       1.368900    
 H   -2.142100       1.589200      0.1293000    
 H   -1.768800     -0.2060000      -1.613100    
 H   -1.918200      -1.425400     -0.3667000    
 H   -1.096200      0.2977000       2.063700    
 H   -2.576100     -0.6521000       2.169000    
 H   -2.583200       1.103100       2.468000    
 H   -3.793300     -0.2631000      -1.954200    
 H   -3.714400       1.508800      -1.709900    
 H   -5.218400      0.6055000      -1.501600    
 H   -4.643600      0.9479000       1.968400    
 H   -5.702300       1.201400      0.6217000    
 H   -4.328700       2.293600      0.8345000    
 H  -0.1422000       1.823700     -0.9865000    
 H    2.655400      -1.991800      0.5151000    
 H  -0.4996000      -2.999300      -1.639900    
 H  -0.5663000      -4.314000     -0.4456000    
 H    1.008800      -3.785300      -1.076300    
 H    3.873900       1.432300       1.772600    
 H    5.496800      0.9038000       1.274300    
 H    4.400000     -0.2527000       2.058800    


%chk=000128059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128059

0 1
I 2.614452 3.434629 -0.905672
O -0.039484 -2.254974 0.147023
O 3.917034 0.734647 0.169140
N -4.044936 0.549482 -0.252126
C -2.626550 0.559001 0.225504
C -1.712355 -0.161421 -0.821135
C -0.229006 0.029244 -0.552022
C -2.466219 -0.122008 1.600386
C 0.599986 -1.019831 -0.065919
C -4.262910 1.456182 -1.401473
C -5.056843 0.812855 0.795297
C 0.385263 1.283916 -0.780438
C 1.979908 -0.818711 0.181510
C 1.754366 1.505615 -0.537559
C 2.566319 0.451371 -0.050741
C 0.768276 -3.377962 0.621797
C 4.775460 -0.340465 0.668818
H -2.267374 1.619737 0.322646
H -1.937283 0.225296 -1.831523
H -1.972231 -1.232507 -0.814234
H -1.393082 -0.206815 1.841645
H -2.890559 -1.142278 1.575997
H -2.947708 0.449542 2.412184
H -3.610930 1.187293 -2.248567
H -4.074265 2.532293 -1.150363
H -5.307892 1.365430 -1.747774
H -5.009012 0.047874 1.585694
H -6.061624 0.757458 0.338388
H -4.956155 1.820142 1.275686
H -0.228469 2.103898 -1.168461
H 2.600546 -1.638335 0.550331
H 1.570237 -3.632329 -0.098951
H 0.066460 -4.220889 0.704252
H 1.212862 -3.167442 1.614505
H 4.435319 -0.700156 1.659721
H 5.772062 0.114674 0.762264
H 4.817837 -1.187056 -0.044131


