%chk=000136297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136297

0 1
 O    5.065600      -1.106600      0.4196000    
 O   -5.367500     -0.2941000      0.4413000    
 C    1.893500      0.6983000      0.3856000    
 C   0.5570000      0.8081000     -0.3543000    
 C    2.686600     -0.5627000     -9.4999997E-03
 C  -0.3180000     -0.4482000      3.1999999E-03
 C   -1.737000     -0.3837000     -0.6771000    
 C    1.860200      -1.789900      0.3935000    
 C   0.4585000      -1.769400     -0.2451000    
 C    3.956100     -0.3335000      0.8344000    
 C    2.917500       1.821500      0.2446000    
 C  -0.1718000       2.120400     -1.4500000E-02
 C    4.244800       1.171400      0.6752000    
 C   -2.345500      0.9612000     -0.2544000    
 C   -1.563600       2.189700     -0.6423000    
 C   -2.668600      -1.562500     -0.2552000    
 C    3.050000     -0.6565000      -1.513200    
 C   -1.635700     -0.4659000      -2.220600    
 C   -3.299200      -1.369800       1.120700    
 C   -3.438200       1.068500      0.5240000    
 C   -4.144700     -9.6199997E-02   1.144100    
 H    1.655800      0.6383000       1.461100    
 H   0.7528000      0.8220000      -1.431600    
 H  -0.4843000     -0.4067000       1.091300    
 H    1.743600      -1.821700       1.484700    
 H    2.378200      -2.714800      0.1130000    
 H   0.5483000      -1.960500      -1.319100    
 H  -9.5799997E-02  -2.615300      0.1739000    
 H    3.768800     -0.5526000       1.893300    
 H    2.672600       2.681800      0.8758000    
 H    2.984200       2.177000     -0.7896000    
 H   0.4156000       2.977700     -0.3638000    
 H  -0.2597000       2.222000       1.075400    
 H    5.030800       1.365900     -6.3100003E-02
 H    4.592200       1.589600       1.626700    
 H   -1.492000       2.268400      -1.732400    
 H   -2.060100       3.106900     -0.3029000    
 H   -2.142700      -2.521000     -0.2873000    
 H   -3.486000      -1.663600     -0.9839000    
 H    3.677000      0.1772000      -1.844700    
 H    3.606900      -1.578300      -1.718300    
 H    2.170000     -0.6690000      -2.161600    
 H  -0.9314000      0.2521000      -2.648200    
 H   -1.318500      -1.463000      -2.545100    
 H   -2.609300     -0.2695000      -2.686700    
 H   -3.928300      -2.238200       1.349000    
 H   -2.515600      -1.319900       1.885600    
 H   -3.809200       2.053500      0.7970000    
 H   -4.395700      0.1352000       2.185400    
 H    4.812800      -2.042500      0.4942000    
 H   -5.897300      0.5167000      0.5305000    


%chk=000136297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000136297

0 1
O 5.166063 -1.129431 0.494063
O -5.429331 -0.452230 0.485112
C 1.897431 0.687417 0.362441
C 0.549634 0.813155 -0.377371
C 2.702727 -0.587281 -0.036491
C -0.321848 -0.443828 -0.022714
C -1.773558 -0.378094 -0.663334
C 1.849728 -1.826336 0.322189
C 0.444678 -1.759718 -0.340604
C 3.968146 -0.357584 0.852112
C 2.941126 1.835658 0.271864
C -0.175414 2.133370 -0.028334
C 4.290070 1.153901 0.688267
C -2.375403 0.976097 -0.245902
C -1.588630 2.202559 -0.671196
C -2.694753 -1.543788 -0.182728
C 3.116297 -0.617850 -1.529863
C -1.709259 -0.469338 -2.220039
C -3.296106 -1.332659 1.218698
C -3.459368 1.092975 0.574850
C -4.178157 -0.076066 1.214267
H 1.647678 0.570298 1.444094
H 0.749400 0.815627 -1.470036
H -0.469987 -0.410027 1.081605
H 1.727786 -1.874585 1.425863
H 2.354365 -2.764005 0.008821
H 0.552410 -1.874525 -1.436279
H -0.142481 -2.630234 0.005948
H 3.686069 -0.580138 1.907695
H 2.681695 2.681546 0.932482
H 2.999085 2.236474 -0.758053
H 0.432684 2.996283 -0.362528
H -0.279853 2.214977 1.073893
H 5.062946 1.258837 -0.093673
H 4.707841 1.577713 1.617609
H -1.479744 2.246840 -1.773193
H -2.108468 3.126318 -0.354998
H -2.150275 -2.503606 -0.234146
H -3.543771 -1.625740 -0.888464
H 3.623216 0.312863 -1.838614
H 3.829358 -1.443802 -1.701901
H 2.250047 -0.765865 -2.197106
H -0.972605 0.219582 -2.667914
H -1.444527 -1.495904 -2.532715
H -2.698895 -0.235476 -2.653130
H -3.917874 -2.200660 1.505117
H -2.507690 -1.217109 1.987529
H -3.816882 2.100662 0.837976
H -4.465219 0.194908 2.252642
H 5.013543 -2.082640 0.716757
H -5.860227 0.378254 0.158033


