%chk=000097269.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097269

0 1
 O    4.529400      -1.082500     -0.3109000    
 N   -1.786500     -9.3999999E-03 -4.9800001E-02
 N   -4.630500      9.7800002E-02  0.1734000    
 C   -2.491300     -0.9447000      0.8374000    
 C   -2.501400       1.233200     -0.3609000    
 C   -3.922300      -1.169200      0.3503000    
 C   -3.932900      0.9315000     -0.8040000    
 C  -0.3871000     -2.1199999E-02 -4.1000001E-02
 C   0.3463000       1.130700      0.3077000    
 C   0.3313000      -1.185300     -0.3802000    
 C    1.741000       1.119000      0.3166000    
 C    1.726000      -1.196900     -0.3711000    
 C    2.430900     -4.4700000E-02 -2.2800000E-02
 C    3.885100     -5.7000000E-02 -1.2700000E-02
 C    4.661800       1.198700      0.3679000    
 H   -2.498200     -0.5375000       1.856700    
 H   -1.988300      -1.917600      0.8809000    
 H   -2.000000       1.775900      -1.171900    
 H   -2.518500       1.883600      0.5230000    
 H   -3.917300      -1.729400     -0.5933000    
 H   -4.460300      -1.780100       1.083200    
 H   -4.478200       1.873700     -0.9255000    
 H   -3.928900      0.4348000      -1.782500    
 H   -5.576300     -8.9199997E-02 -0.1582000    
 H  -0.1574000       2.051900      0.5901000    
 H  -0.1970000      -2.091900     -0.6672000    
 H    2.250100       2.036000      0.5965000    
 H    2.241100      -2.114800     -0.6419000    
 H    4.427500       1.491700       1.394500    
 H    4.442200       2.006800     -0.3347000    
 H    5.734400      0.9862000      0.3136000    


%chk=000097269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097269

0 1
O 4.568195 -1.212837 -0.016704
N -1.817198 0.017055 0.141372
N -4.680517 -0.007921 -0.031354
C -2.611462 -1.107406 0.693576
C -2.577357 1.283984 0.068429
C -3.936200 -1.283550 -0.072472
C -3.914557 1.077803 -0.674894
C -0.413172 0.005472 0.147381
C 0.349314 1.219565 0.172536
C 0.324561 -1.226011 0.096555
C 1.752788 1.198031 0.130920
C 1.722374 -1.231484 0.059355
C 2.477315 -0.023074 0.072823
C 3.963852 -0.094394 0.026112
C 4.765803 1.208255 0.027900
H -2.848713 -0.900723 1.760125
H -2.034319 -2.041663 0.648392
H -1.990640 2.033755 -0.485986
H -2.784701 1.676980 1.088157
H -3.703461 -1.616388 -1.114217
H -4.534271 -2.071413 0.420038
H -4.496878 2.015673 -0.625625
H -3.684276 0.864639 -1.748391
H -5.641046 -0.088226 -0.386200
H -0.153418 2.186709 0.256427
H -0.200723 -2.184513 0.055545
H 2.289600 2.152900 0.160874
H 2.275359 -2.175837 0.007338
H 4.559015 1.803869 0.936864
H 4.510773 1.836016 -0.846425
H 5.838662 0.964836 -0.005253


