%chk=000113493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113493

0 1
 O   -1.672700       1.162300       1.054200    
 C   0.2892000     -0.2812000       1.182300    
 C  -0.6036000      0.6302000      0.2545000    
 C    1.541000     -0.6711000      0.3301000    
 C   -1.219000     -0.2681000     -0.9165000    
 C  -0.4527000      -1.641100     -0.9327000    
 C    1.074000      -1.422100     -0.9477000    
 C  -0.4516000      -1.597400       1.563900    
 C  -0.7540000      -2.449900      0.3353000    
 C    2.410800      0.5629000      1.9000000E-03
 C   0.2191000       1.870700     -0.2039000    
 C    1.615900       1.617500     -0.7736000    
 C   0.6695000      0.4042000       2.512900    
 C   -2.738900     -0.5327000     -0.6979000    
 C   -1.151400      0.3707000      -2.323000    
 C    3.699800      0.1948000     -0.7389000    
 C   -2.475500       2.050300      0.2991000    
 H    2.158500      -1.363600      0.9201000    
 H  -0.7417000      -2.231600      -1.810900    
 H    1.582500      -2.394900     -0.9856000    
 H    1.366800     -0.9138000      -1.869500    
 H   -1.387300      -1.363300       2.087000    
 H   0.1489000      -2.188400       2.267500    
 H  -0.1406000      -3.359800      0.3558000    
 H   -1.792700      -2.796800      0.3595000    
 H    2.734100       1.015900      0.9470000    
 H   0.3363000       2.546100      0.6556000    
 H  -0.3178000       2.484100     -0.9352000    
 H    1.549400       1.338800      -1.828400    
 H    2.173500       2.563400     -0.7687000    
 H  -0.2111000      0.5447000       3.150100    
 H    1.383600     -0.2094000       3.074200    
 H    1.123600       1.388500       2.377100    
 H   -3.035200      -1.428800      -1.260800    
 H   -3.000400     -0.7349000      0.3454000    
 H   -3.397000      0.2489000      -1.086700    
 H  -0.1304000      0.4963000      -2.682500    
 H   -1.635500     -0.2903000      -3.054400    
 H   -1.649500       1.335900      -2.417700    
 H    4.268600     -0.5531000     -0.1767000    
 H    3.506100     -0.2067000      -1.738000    
 H    4.337100       1.078000     -0.8570000    
 H   -3.521300       1.883200      0.5780000    
 H   -2.398600       2.053900     -0.7810000    
 H   -2.241500       3.067900      0.6335000    


%chk=000113493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113493

0 1
O -1.738677 1.097804 1.055220
C 0.255070 -0.273533 1.138947
C -0.628659 0.612334 0.175889
C 1.539603 -0.673536 0.329810
C -1.215795 -0.327438 -1.004373
C -0.411656 -1.684395 -0.977985
C 1.116299 -1.440389 -0.972963
C -0.512038 -1.573308 1.530651
C -0.745136 -2.494484 0.298582
C 2.426417 0.566364 0.022959
C 0.198327 1.852635 -0.291155
C 1.626728 1.579987 -0.833298
C 0.604864 0.459740 2.457408
C -2.723332 -0.657389 -0.781526
C -1.123065 0.302442 -2.422377
C 3.765901 0.190712 -0.648450
C -2.504350 2.262476 0.617077
H 2.126235 -1.355881 0.980542
H -0.694056 -2.265174 -1.880642
H 1.635880 -2.415396 -1.032854
H 1.417212 -0.878473 -1.875771
H -1.470194 -1.278508 1.996105
H 0.071868 -2.102255 2.309346
H -0.085732 -3.383691 0.336293
H -1.781772 -2.873264 0.275018
H 2.670995 1.049327 0.990675
H 0.289798 2.513230 0.593192
H -0.365715 2.426537 -1.049299
H 1.582725 1.212081 -1.876448
H 2.176445 2.541565 -0.880436
H -0.299869 0.562366 3.079597
H 1.354649 -0.127124 3.023409
H 1.014844 1.472367 2.309537
H -3.014263 -1.497193 -1.442669
H -2.947046 -0.930874 0.260181
H -3.368341 0.200752 -1.040505
H -0.089494 0.496933 -2.752751
H -1.579425 -0.388802 -3.156823
H -1.681022 1.255447 -2.480582
H 4.359801 -0.484373 -0.003589
H 3.605781 -0.322035 -1.615342
H 4.375842 1.092748 -0.846670
H -3.350174 2.333165 1.321717
H -2.903240 2.157705 -0.412218
H -1.913934 3.199001 0.674271


