%chk=000108059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108059

0 1
 O    2.848200      0.2287000      -1.287000    
 O    4.694600      0.6340000       1.392600    
 O   -6.971800     -2.0400001E-02  -1.208600    
 O    5.109100     -0.2417000      -1.223500    
 C    1.275500      0.5685000      0.5992000    
 C   0.5265000     -0.7488000      0.2672000    
 C  -0.9429000     -0.7319000      0.7023000    
 C   -1.673900      0.4389000     -1.6300000E-02
 C    2.713000      0.1899000      0.1284000    
 C   0.5718000       1.699300     -0.1706000    
 C  -0.9272000       1.783700      0.1677000    
 C    1.437900      -1.833900      0.8378000    
 C   -3.168800      0.5203000      0.4207000    
 C   -1.649700      -2.056600      0.3864000    
 C    2.816900      -1.264300      0.5652000    
 C    1.270400      0.9034000       2.120800    
 C   -3.101300      -2.017800      0.8515000    
 C   -3.852500     -0.8349000      0.2927000    
 C   -3.906900       1.611600     -0.3820000    
 C    3.805400       1.075100      0.6661000    
 C   -5.416100       1.523200     -0.2384000    
 C   -5.072300      -1.010500     -0.2401000    
 C    3.932500      -1.996600      0.6791000    
 C   -5.896100      0.1532000     -0.6406000    
 C    3.757600       2.525800      0.2692000    
 C    4.023400     -0.2607000      -1.787700    
 C    3.796800     -0.8374000      -3.152200    
 H   0.5239000     -0.8840000     -0.8280000    
 H   -1.003700     -0.5820000       1.787100    
 H   -1.656700      0.2188000      -1.095300    
 H   0.6703000       1.544200      -1.252200    
 H    1.029100       2.669600      4.5899998E-02
 H   -1.062000       2.146000       1.193300    
 H   -1.366500       2.546000     -0.4859000    
 H    1.285700      -2.790000      0.3269000    
 H    1.279600      -1.971200       1.912600    
 H   -3.204400      0.7968000       1.484000    
 H   -1.143100      -2.888000      0.8897000    
 H   -1.608600      -2.261700     -0.6911000    
 H    1.817000      0.1646000       2.715800    
 H    1.737100       1.875000       2.311400    
 H   0.2632000      0.9619000       2.540600    
 H   -3.128100      -1.956800       1.947100    
 H   -3.585200      -2.963800      0.5797000    
 H   -3.647600       1.526800      -1.446200    
 H   -3.583800       2.605700     -5.2499998E-02
 H   -5.888400       2.267200     -0.8889000    
 H   -5.730800       1.716000      0.7928000    
 H   -5.527700      -1.990600     -0.3305000    
 H    4.940500      -1.641100      0.5320000    
 H    3.854700      -3.036300      0.9872000    
 H    3.403400       2.648200     -0.7565000    
 H    3.124700       3.087600      0.9575000    
 H    4.771400       2.935800      0.3153000    
 H    3.441800     -5.6800000E-02  -3.829400    
 H    3.073300      -1.654300      -3.092800    
 H    4.739500      -1.234300      -3.539500    


%chk=000108059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108059

0 1
O 2.723506 0.089732 -1.237873
O 4.381772 0.934048 1.900234
O -7.109829 -0.016522 -1.261370
O 5.032633 -0.239650 -1.362612
C 1.271534 0.523814 0.698163
C 0.523602 -0.816143 0.380572
C -0.967229 -0.784737 0.765917
C -1.663846 0.380284 -0.003193
C 2.750204 0.113341 0.285703
C 0.600486 1.660034 -0.107056
C -0.921551 1.730562 0.199080
C 1.437882 -1.902017 0.992199
C -3.183956 0.500033 0.364431
C -1.677312 -2.120261 0.456221
C 2.852805 -1.339454 0.788690
C 1.280624 0.861150 2.215796
C -3.170971 -2.051783 0.854366
C -3.890329 -0.853685 0.261843
C -3.889611 1.579664 -0.499284
C 3.815768 1.115186 0.792409
C -5.427220 1.536908 -0.383438
C -5.138224 -0.990972 -0.292260
C 4.007562 -2.009543 1.004413
C -5.976683 0.149592 -0.713970
C 4.074178 2.376941 -0.023605
C 3.913544 -0.182423 -1.919682
C 3.639600 -0.400111 -3.391536
H 0.568810 -0.934782 -0.723560
H -1.063784 -0.599691 1.858415
H -1.609965 0.122290 -1.086082
H 0.747394 1.476820 -1.188055
H 1.058478 2.640293 0.129047
H -1.082950 2.079567 1.239617
H -1.364882 2.501133 -0.458220
H 1.318036 -2.888969 0.511961
H 1.224544 -2.035442 2.072129
H -3.230917 0.813349 1.434938
H -1.191766 -2.951102 1.002280
H -1.586632 -2.344603 -0.626277
H 1.878887 0.142409 2.800802
H 1.721411 1.859499 2.388291
H 0.259424 0.876353 2.630223
H -3.223857 -1.969835 1.962678
H -3.697812 -2.984435 0.581912
H -3.602379 1.423426 -1.559377
H -3.531895 2.585132 -0.213678
H -5.909470 2.278408 -1.044154
H -5.734606 1.780222 0.655512
H -5.597956 -1.983087 -0.391666
H 4.984015 -1.539855 0.863094
H 3.994957 -3.051108 1.349273
H 3.293511 2.573907 -0.774794
H 4.169516 3.233565 0.665070
H 5.040639 2.260937 -0.547046
H 2.876600 0.304705 -3.759679
H 3.249925 -1.423572 -3.542985
H 4.572484 -0.290123 -3.963822


