%chk=000137312.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137312

0 1
 O  -0.3529000       2.624900     -8.8299997E-02
 O   -4.812700       1.223100      0.6693000    
 O  -0.1487000      -2.393200      -1.656600    
 O    4.022900       4.159200     -0.8863000    
 O    1.915900      -1.563300      -2.245900    
 C   0.7308000      6.5700002E-02  0.6088000    
 C  -0.7282000      0.3442000      0.6331000    
 C    1.560300       1.078900      0.2375000    
 C    1.294400      -1.241900      0.9641000    
 C   -1.194300       1.611200      0.2825000    
 C    1.015200       2.398000     -0.1226000    
 C   -1.672900     -0.6288000      0.9993000    
 C    1.484900      -2.227600      3.0000000E-03
 C    3.019700      0.9147000      0.1762000    
 C   -2.560200       1.911100      0.2927000    
 C    1.633800      -1.470900       2.292800    
 C   -3.483100      0.9359000      0.6577000    
 C    1.817300       3.407700     -0.4902000    
 C   -3.039300     -0.3344000       1.011200    
 C    3.836600       1.910400     -0.1886000    
 C    2.022500      -3.459700      0.3754000    
 C    3.288400       3.237100     -0.5499000    
 C    2.171300      -2.703100       2.664900    
 C    2.365600      -3.697400       1.706400    
 C    1.140300      -2.019200      -1.398500    
 C   -5.712200      0.1491000      0.3974000    
 C  -0.6067000      -2.236800      -3.004000    
 C   -6.963200      0.7052000     -0.2486000    
 C   -2.045200      -2.700100      -3.092800    
 H   -1.368100      -1.631900       1.287100    
 H    3.477200     -3.5399999E-02  0.4292000    
 H   -2.902400       2.905200      1.5699999E-02
 H    1.488000     -0.7071000       3.052700    
 H    1.418700       4.381000     -0.7560000    
 H   -3.719300      -1.119400       1.328900    
 H    4.911100       1.774300     -0.2295000    
 H    2.179100      -4.242800     -0.3621000    
 H    2.438300      -2.888400       3.701200    
 H    2.784100      -4.656800       1.996300    
 H   -5.278600     -0.5799000     -0.2988000    
 H   -5.970900     -0.3503000       1.337600    
 H  -0.5381000      -1.181500      -3.290200    
 H   1.9400001E-02  -2.837100      -3.673100    
 H   -7.681400     -9.1600001E-02 -0.4618000    
 H   -7.439200       1.443500      0.4053000    
 H   -6.718400       1.219900      -1.183700    
 H   -2.428500      -2.593500      -4.111400    
 H   -2.131700      -3.748800      -2.789700    
 H   -2.678700      -2.119800      -2.413500    


%chk=000137312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137312

0 1
O -0.598215 2.275442 -0.593004
O -5.031814 0.857318 0.329310
O 0.469870 -1.735773 -1.751325
O 3.750890 4.034838 -1.590982
O 0.623991 -4.047679 -1.562273
C 0.577559 -0.133932 0.426432
C -0.863462 0.049045 0.437038
C 1.398454 0.893409 -0.055673
C 1.162495 -1.384725 1.014649
C -1.417161 1.263472 -0.082710
C 0.810524 2.123724 -0.581016
C -1.784386 -0.913163 0.939876
C 1.195756 -2.652502 0.355691
C 2.849407 0.807132 -0.105712
C -2.795694 1.510219 -0.111596
C 1.670600 -1.298137 2.337674
C -3.679509 0.528516 0.393872
C 1.556028 3.164667 -1.086622
C -3.169800 -0.693027 0.925461
C 3.617668 1.832865 -0.606264
C 1.720633 -3.785011 1.034865
C 3.019605 3.085087 -1.127310
C 2.195645 -2.427615 3.001455
C 2.216669 -3.681116 2.348133
C 0.736284 -2.903592 -1.051570
C -6.020848 -0.117656 0.847542
C 0.027129 -1.894451 -3.173250
C -7.396605 0.513532 0.658951
C -0.252986 -0.492999 -3.704604
H -1.395144 -1.849124 1.352792
H 3.320180 -0.109490 0.264816
H -3.183854 2.448780 -0.513259
H 1.644462 -0.328760 2.846757
H 1.071754 4.067291 -1.468782
H -3.841117 -1.458688 1.321765
H 4.710407 1.764705 -0.645900
H 1.728382 -4.739458 0.498594
H 2.582267 -2.327798 4.021375
H 2.619584 -4.564125 2.854822
H -5.928374 -1.065883 0.280657
H -5.809429 -0.316342 1.917546
H 0.836111 -2.406524 -3.724945
H -0.865638 -2.545417 -3.185288
H -8.180167 -0.172116 1.029056
H -7.470159 1.462415 1.216457
H -7.588501 0.720684 -0.407354
H -0.564629 -0.553841 -4.763205
H -1.061896 -0.005722 -3.133626
H 0.647936 0.141126 -3.645114


