%chk=000057007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057007

0 1
 O    3.985200       1.339700     -0.7460000    
 O   -6.328300     -0.9559000     -0.5955000    
 C    1.929700     -1.4900000E-02 -0.7199000    
 C    1.142500       1.192800     -0.1472000    
 C  -0.3843000       1.056700     -0.2832000    
 C    3.342200      0.2301000     -0.1035000    
 C  -0.9260000     -0.2750000      0.2873000    
 C    1.304700      -1.355800     -0.2526000    
 C    1.671300       1.360800       1.288300    
 C    3.043900      0.6775000       1.334800    
 C  -0.2151000      -1.436400     -0.4311000    
 C   -1.142200       2.231700      0.3342000    
 C    1.949500      2.4400000E-02  -2.260800    
 C    4.306600     -0.9522000     -0.1475000    
 C   -2.452400     -0.3412000      0.2336000    
 C   -2.620900       2.151900     -4.3400001E-02
 C   -3.212400      0.7637000      5.7100002E-02
 C   -3.080200      -1.703000      0.4368000    
 C    5.628000     -0.6149000      0.5355000    
 C   -4.715700      0.7347000     -5.6200001E-02
 C   -4.547800      -1.661600      0.8375000    
 C   -5.276200     -0.6695000     -2.6300000E-02
 C    6.598100      -1.783400      0.4682000    
 H    1.436500       2.098000     -0.6996000    
 H  -0.6014000       1.071700      -1.362400    
 H  -0.6697000     -0.3438000       1.353300    
 H    1.518700      -1.530600      0.8089000    
 H    1.765200      -2.191800     -0.7942000    
 H    1.015200      0.9109000       2.039500    
 H    1.757600       2.424200       1.539200    
 H    3.794200       1.375900       1.722600    
 H    2.991100     -0.1753000       2.022000    
 H  -0.4770000      -1.445100      -1.495700    
 H  -0.5433000      -2.400500     -2.5699999E-02
 H  -0.7314000       3.186400     -1.4500000E-02
 H   -1.042700       2.220600       1.426900    
 H    2.606500     -0.7536000      -2.663800    
 H   0.9547000     -0.1336000      -2.687900    
 H    2.302600      0.9888000      -2.641000    
 H    4.510400      -1.225600      -1.190200    
 H    3.873100      -1.833400      0.3384000    
 H   -2.748800       2.506300      -1.074200    
 H   -3.178200       2.840900      0.6028000    
 H    4.299700       1.045900      -1.617600    
 H   -2.976300      -2.273600     -0.4946000    
 H   -2.538200      -2.248500       1.218600    
 H    5.470300     -0.3661000       1.590400    
 H    6.100600      0.2536000      6.3400000E-02
 H   -5.165500       1.291300      0.7730000    
 H   -5.018600       1.197800      -1.002000    
 H   -4.665400      -1.355000       1.883100    
 H   -4.999600      -2.652400      0.7230000    
 H    6.184900      -2.666400      0.9661000    
 H    6.823500      -2.047600     -0.5700000    
 H    7.539100      -1.524200      0.9637000    


%chk=000057007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057007

0 1
O 4.008236 1.429889 -0.683324
O -6.422451 -1.049207 -0.605998
C 1.940708 0.014802 -0.674152
C 1.131818 1.219909 -0.082178
C -0.398192 1.081688 -0.263115
C 3.367560 0.246193 -0.031159
C -0.940700 -0.254705 0.308631
C 1.321438 -1.334261 -0.187064
C 1.640241 1.365474 1.385301
C 3.066737 0.733212 1.410702
C -0.209837 -1.430546 -0.397138
C -1.199506 2.269269 0.308667
C 1.984815 0.041394 -2.220472
C 4.334674 -0.955921 -0.121411
C -2.468833 -0.334997 0.227349
C -2.671684 2.171620 -0.144529
C -3.245534 0.766551 -0.001811
C -3.091819 -1.710613 0.451690
C 5.716324 -0.708566 0.529366
C -4.759077 0.687026 -0.170683
C -4.577745 -1.640515 0.891130
C -5.359232 -0.709587 -0.022301
C 6.688015 -1.886851 0.306556
H 1.457942 2.125741 -0.632751
H -0.598135 1.059742 -1.358741
H -0.667086 -0.317236 1.388274
H 1.526612 -1.469943 0.894751
H 1.814930 -2.177609 -0.709148
H 0.972723 0.842335 2.095497
H 1.661804 2.425627 1.691123
H 3.840265 1.459873 1.709479
H 3.118315 -0.113705 2.119178
H -0.460721 -1.419804 -1.477323
H -0.558064 -2.404494 -0.003918
H -0.761317 3.229671 -0.027138
H -1.145503 2.257428 1.415612
H 2.717975 -0.687746 -2.618428
H 1.004730 -0.221609 -2.655750
H 2.245590 1.046859 -2.599284
H 4.487289 -1.221691 -1.191146
H 3.868798 -1.840894 0.353571
H -2.759807 2.496817 -1.204281
H -3.300668 2.879414 0.435216
H 4.234578 1.181381 -1.616437
H -3.007752 -2.326041 -0.467790
H -2.518053 -2.253386 1.229308
H 5.586941 -0.539259 1.616550
H 6.146893 0.224390 0.119368
H -5.257198 1.342845 0.579068
H -5.065575 1.092431 -1.155870
H -4.618687 -1.220803 1.917473
H -5.053220 -2.636035 0.900005
H 6.280733 -2.827797 0.723660
H 6.872955 -2.052773 -0.772063
H 7.664758 -1.699587 0.789485


