%chk=000178326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178326

0 1
 O   0.4072000       2.224900      -1.434500    
 O    1.367700      -1.230000      -1.517800    
 C   -1.030900     -3.9200000E-02 -0.5343000    
 C   -2.400100     -0.4313000     -3.2099999E-02
 C   -1.378400      -1.491800     -0.3305000    
 C  -6.9899999E-02  0.6607000      0.3948000    
 C    1.322500     -2.2900000E-02  0.6127000    
 C   0.2356000       2.122500     -1.9099999E-02
 C  -0.6944000      -2.246700      0.7567000    
 C    1.622700      -1.360900     -0.1149000    
 C    2.347900       1.100600      0.3513000    
 C   0.7681000      -2.546300      0.4146000    
 C   -3.530600     -0.2899000     -0.9964000    
 C   -2.813800     -0.1830000       1.379100    
 C    1.587500       2.390100      0.6376000    
 C  -0.8435000       3.106900      0.4118000    
 C    3.102600      -1.763500      2.0800000E-02
 H  -0.9268000      0.2624000      -1.569800    
 H   -1.512300      -2.100700      -1.218100    
 H  -0.4931000      0.7255000       1.402100    
 H    1.395000     -0.2390000       1.690600    
 H   -1.223900      -3.193500      0.9181000    
 H  -0.7038000      -1.736200       1.721900    
 H    2.694100       1.098600     -0.6880000    
 H    3.227700       1.007700      0.9964000    
 H    1.230400      -2.959800       1.320600    
 H   0.7809000      -3.347400     -0.3374000    
 H   -3.945800      0.7230000     -0.9564000    
 H   -4.332700     -0.9972000     -0.7591000    
 H   -3.223500     -0.4780000      -2.031500    
 H   -2.056400     -0.3317000       2.148800    
 H   -3.648800     -0.8430000       1.642900    
 H   -3.170200      0.8484000       1.484800    
 H    1.486000       2.538600       1.719200    
 H    2.109100       3.251900      0.2092000    
 H  -0.5682000       4.131000      0.1358000    
 H   -1.790700       2.890600     -9.4300002E-02
 H   -1.013400       3.077300       1.492800    
 H    3.404700      -1.836400       1.070700    
 H    3.284400      -2.733000     -0.4585000    
 H    3.765500      -1.054000     -0.4856000    
 H   0.6531000       3.142700      -1.641400    
 H    1.943600     -0.5326000      -1.872000    


%chk=000178326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178326

0 1
O 0.733099 1.821950 -1.497330
O 1.512124 -0.918370 -1.586794
C -1.117313 0.008540 -0.419953
C -2.506357 -0.454488 0.103939
C -1.438514 -1.488399 -0.316116
C -0.066368 0.671894 0.476280
C 1.317857 -0.066403 0.764494
C 0.339529 2.073536 -0.069044
C -0.628339 -2.338245 0.648842
C 1.677657 -1.277169 -0.157739
C 2.395622 1.075659 0.726412
C 0.817199 -2.552043 0.139803
C -3.686001 -0.261672 -0.849989
C -2.893216 -0.268230 1.569628
C 1.611726 2.407323 0.739245
C -0.771121 3.129596 -0.032200
C 3.163929 -1.691413 0.014810
H -1.121122 0.408839 -1.439662
H -1.620137 -1.985108 -1.278961
H -0.516858 0.877547 1.468034
H 1.273814 -0.472751 1.794441
H -1.111267 -3.327403 0.785315
H -0.599794 -1.873152 1.653628
H 2.975374 1.012100 -0.211022
H 3.112148 0.999639 1.562665
H 1.357564 -3.175753 0.880194
H 0.797966 -3.123759 -0.807936
H -4.125312 0.750326 -0.743932
H -4.486999 -0.999486 -0.647174
H -3.374723 -0.384576 -1.903749
H -2.065089 -0.469644 2.270964
H -3.721934 -0.951779 1.837062
H -3.243440 0.767251 1.752705
H 1.321329 2.696663 1.767861
H 2.182003 3.251590 0.305667
H -0.421880 4.095774 -0.444154
H -1.638618 2.793099 -0.625439
H -1.108967 3.308233 1.005146
H 3.404258 -1.918705 1.071240
H 3.354335 -2.597000 -0.588632
H 3.847041 -0.904681 -0.345140
H 1.188059 2.622693 -1.859393
H 1.245836 0.043376 -1.672415


