%chk=000097323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097323

0 1
 O    3.354200     -2.3000001E-03  -1.686600    
 O    3.826000       1.577400     -6.8400003E-02
 O   -4.700000       1.489800     -0.1200000    
 C    1.180100     -0.7394000     -3.7099998E-02
 C   0.1330000      0.4303000      0.2055000    
 C    2.627100     -0.4442000      0.5034000    
 C   0.2481000      0.9630000       1.659600    
 C   0.6220000      -2.064300      0.5237000    
 C    2.610000      0.1309000       1.929100    
 C    1.667200       1.314700       2.085000    
 C   -1.335400     -2.2000000E-02 -1.9999999E-04
 C   0.4174000       1.577900     -0.8022000    
 C  -0.6504000      -2.459300     -0.2082000    
 C   -1.682200      -1.372700     -0.1842000    
 C    3.545800      -1.685200      0.4909000    
 C    3.341900      0.5113000     -0.4237000    
 C   -2.385600      0.9222000      3.3000000E-02
 C   -3.026500      -1.737900     -0.3862000    
 C   -3.718000      0.5483000     -0.1533000    
 C   -4.038500     -0.7834000     -0.3708000    
 C    4.003700      0.8061000      -2.672900    
 C   -6.039400       1.038700     -0.3162000    
 H    1.238700     -0.8933000      -1.124500    
 H  -0.1481000      0.2157000       2.360900    
 H  -0.3767000       1.855200       1.795600    
 H   0.4330000      -1.978700       1.600400    
 H    1.328700      -2.888500      0.3888000    
 H    3.617400      0.4369000       2.240300    
 H    2.301800     -0.6514000       2.635500    
 H    2.024600       2.186900       1.529700    
 H    1.654700       1.618600       3.139000    
 H    1.406800       2.017200     -0.6879000    
 H   0.3265000       1.220800      -1.835100    
 H  -0.2761000       2.417800     -0.6912000    
 H   -1.050300      -3.366900      0.2604000    
 H  -0.4223000      -2.702600      -1.253300    
 H    3.489500      -2.229000     -0.4594000    
 H    4.596700      -1.407600      0.6434000    
 H    3.288900      -2.386500       1.292700    
 H   -2.176200       1.973700      0.2151000    
 H   -3.288600      -2.780900     -0.5507000    
 H   -5.047300      -1.148300     -0.5286000    
 H    3.495100       1.770400      -2.766000    
 H    3.945400      0.2845000      -3.631900    
 H    5.057100      0.9473000      -2.412900    
 H   -6.176300      0.6068000      -1.313400    
 H   -6.688800       1.918300     -0.2568000    
 H   -6.354100      0.3544000      0.4790000    


%chk=000097323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097323

0 1
O 3.245959 0.140313 -1.775774
O 3.973777 1.572253 -0.103432
O -4.630576 1.563037 -0.206036
C 1.168803 -0.806360 0.009634
C 0.135750 0.374170 0.215316
C 2.632204 -0.452010 0.503682
C 0.221290 0.917233 1.684798
C 0.634713 -2.116658 0.641554
C 2.623274 0.122060 1.947134
C 1.649377 1.304982 2.121229
C -1.325240 -0.108108 -0.013543
C 0.436332 1.523634 -0.795076
C -0.625364 -2.576870 -0.114089
C -1.679486 -1.482710 -0.164809
C 3.572202 -1.702746 0.459057
C 3.325511 0.552240 -0.438989
C -2.363369 0.854667 -0.029882
C -3.037948 -1.830549 -0.348084
C -3.715574 0.491526 -0.212465
C -4.068668 -0.868198 -0.382311
C 3.936943 1.010931 -2.754185
C -6.044999 1.237550 -0.386911
H 1.246062 -0.993640 -1.081095
H -0.173688 0.144334 2.374625
H -0.455629 1.787717 1.781310
H 0.398199 -1.974687 1.713931
H 1.393494 -2.915139 0.576571
H 3.648778 0.431208 2.221363
H 2.331185 -0.696890 2.635121
H 2.017874 2.173628 1.545626
H 1.635022 1.616603 3.183765
H 1.423286 1.983269 -0.623347
H 0.405814 1.145509 -1.832663
H -0.307014 2.334211 -0.708910
H -1.050567 -3.483286 0.358712
H -0.332887 -2.870822 -1.144678
H 3.496530 -2.228865 -0.508064
H 4.624141 -1.393718 0.604077
H 3.322318 -2.404320 1.273202
H -2.153912 1.920620 0.102513
H -3.298642 -2.890652 -0.461637
H -5.107129 -1.180601 -0.526021
H 3.497301 2.023001 -2.741215
H 3.778610 0.523026 -3.726276
H 5.010904 1.083291 -2.512924
H -6.228161 0.756005 -1.367891
H -6.570566 2.203209 -0.345700
H -6.415633 0.577303 0.422086


