%chk=000160920.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160920

0 1
 O   -4.176100       1.906300       1.171100    
 O   -2.639400       1.946800     -0.5120000    
 O  -3.0600000E-02  0.7244000      -1.509100    
 O    4.134800      -1.273800       1.549200    
 O    5.248300      -1.148500     -0.4205000    
 N   -2.107200     -0.6443000     -0.2814000    
 N  -0.8186000     -0.6265000      0.2091000    
 N    4.937700       1.594500     -0.4152000    
 C   -3.070400     -0.1047000      0.6846000    
 C   -4.363000     -0.8905000      0.4641000    
 C   -4.047300      -1.845200     -0.6779000    
 C   -2.542200      -2.007100     -0.5887000    
 C   -3.246700       1.344000      0.3604000    
 C   0.1516000      8.6400002E-02 -0.4751000    
 C    1.494800      1.7000001E-02  0.2327000    
 C    2.609100      0.7889000     -0.4796000    
 C    3.948400      0.7651000      0.2712000    
 C    4.516800     -0.6329000      0.4172000    
 H   -2.730500     -0.2039000       1.723500    
 H   -5.237700     -0.2772000      0.2247000    
 H   -4.594900      -1.471800       1.365000    
 H   -4.578800      -2.796400     -0.5820000    
 H   -4.328100      -1.390100      -1.635800    
 H   -2.285300      -2.712100      0.2130000    
 H   -2.116900      -2.371600      -1.529000    
 H  -0.6145000      -1.135200       1.064300    
 H    1.763400      -1.042400      0.3151000    
 H    1.363600      0.4113000       1.247700    
 H    2.738300      0.3694000      -1.486600    
 H    2.286300       1.829500     -0.6168000    
 H    3.819700       1.180300       1.277800    
 H   -4.306200       2.858400      0.9741000    
 H    4.589200       2.549900     -0.4882000    
 H    5.053800       1.268400      -1.374500    
 H    4.514300      -2.176600       1.604800    


%chk=000160920-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160920

0 1
O -2.355703 1.686358 1.542565
O -3.745309 1.619607 -0.322073
O -0.536192 0.849564 -0.721919
O 4.202228 -0.224677 2.056421
O 5.266910 -1.069502 0.175328
N -2.160761 -1.291674 0.336910
N -0.822774 -1.005540 0.663820
N 4.647961 1.311925 -1.164802
C -3.259048 -0.477385 0.948455
C -4.488562 -1.137239 0.292173
C -4.028154 -1.439580 -1.167749
C -2.481620 -1.601721 -1.095344
C -3.175883 1.023091 0.616916
C -0.065356 0.032743 0.124597
C 1.376585 0.102745 0.637945
C 2.364502 0.392099 -0.516025
C 3.779211 0.891670 -0.058290
C 4.506182 -0.220628 0.690245
H -3.228216 -0.589962 2.045494
H -5.372952 -0.480615 0.316214
H -4.719921 -2.069456 0.835347
H -4.519083 -2.343687 -1.564508
H -4.285159 -0.587822 -1.816834
H -2.147784 -2.631502 -1.317301
H -1.973811 -0.900667 -1.783907
H -0.388550 -1.640753 1.338188
H 1.654296 -0.816121 1.186657
H 1.423929 0.932038 1.372215
H 2.487458 -0.499941 -1.160314
H 1.922668 1.189345 -1.143629
H 3.630405 1.730689 0.647326
H -2.223527 2.625921 1.240058
H 4.214987 1.966002 -1.820567
H 5.150138 0.540077 -1.614018
H 4.686604 -0.975601 2.497607


