%chk=000098171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098171

0 1
 O    4.189900     -9.2900001E-02 -2.1199999E-02
 O    3.196400       1.975000      0.1629000    
 N    1.899300      -2.599900     -0.2247000    
 C   -3.120100      0.4177000      4.7400001E-02
 C   -1.733100      0.9125000      9.3599997E-02
 C   -3.376100     -0.9126000      0.3388000    
 C   -4.142000       1.291900     -0.2866000    
 C   -4.689100      -1.381300      0.2948000    
 C   -5.455000      0.8231000     -0.3304000    
 C  -0.6375000      0.1389000      2.2000000E-02
 C   -5.728500     -0.5135000     -3.9700001E-02
 C    5.482700      0.5207000      2.3800001E-02
 C   0.7092000      0.6830000      6.3500002E-02
 C    1.855000     -2.1900000E-02 -2.4000001E-03
 C    6.542900     -0.5554000     -7.5099997E-02
 C    3.129200      0.7584000      5.8400001E-02
 C    1.876600      -1.443800     -0.1249000    
 H   -1.624600       1.991800      0.1834000    
 H   -2.603700      -1.618500      0.6269000    
 H   -3.944900       2.335400     -0.5170000    
 H   -4.903500      -2.420600      0.5264000    
 H   -6.264500       1.498600     -0.5910000    
 H  -0.7194000     -0.9360000     -9.6299998E-02
 H    5.584600       1.219100     -0.8142000    
 H    5.595200       1.065700      0.9677000    
 H   -6.751000     -0.8780000     -7.2700001E-02
 H   0.7537000       1.767200      0.1581000    
 H    7.545800     -0.1205000     -4.3800000E-02
 H    6.442100      -1.272100      0.7465000    
 H    6.431600      -1.121400      -1.005900    


%chk=000098171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098171

0 1
O 4.278786 -0.094540 -0.004478
O 3.239978 1.995244 -0.138214
N 1.939462 -2.665049 0.137213
C -3.145172 0.359037 -0.014419
C -1.761110 0.832699 -0.044651
C -3.496137 -1.024229 0.049637
C -4.197307 1.322492 -0.051617
C -4.846066 -1.419699 0.075018
C -5.548646 0.924808 -0.025789
C -0.614164 0.063596 -0.009960
C -5.878858 -0.449271 0.037579
C 5.614422 0.578128 -0.045112
C 0.696157 0.654678 -0.046680
C 1.899873 -0.038168 -0.011500
C 6.661188 -0.522947 0.081688
C 3.169880 0.741811 -0.059449
C 1.944459 -1.469075 0.069603
H -1.634585 1.924990 -0.100696
H -2.712836 -1.789083 0.078618
H -3.943104 2.388556 -0.101169
H -5.099927 -2.484109 0.123967
H -6.341836 1.679412 -0.055066
H -0.676284 -1.030531 0.047763
H 5.691060 1.132494 -0.998216
H 5.658735 1.308350 0.783225
H -6.928144 -0.763259 0.057662
H 0.779367 1.749376 -0.107821
H 7.673328 -0.079631 0.055138
H 6.543848 -1.069260 1.032731
H 6.574833 -1.246219 -0.746705


