%chk=000085389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085389

0 1
 O    2.334200      -1.195300     -0.1446000    
 O    3.016500       1.058000     -1.3000000E-02
 C   -4.230200      0.6932000     -0.1636000    
 C   -2.784200      0.2401000      6.5899998E-02
 C   -5.221400     -0.4116000      0.2035000    
 C   -1.758100       1.308000     -0.3180000    
 C   -6.656700      2.1500001E-02 -5.0099999E-02
 C    2.109300      6.8899997E-02  0.4884000    
 C  -0.3815000      0.8832000     -3.0500000E-02
 C   0.7410000      0.5250000      0.2023000    
 C    1.438400      -2.204900      0.3041000    
 C    4.376300      0.7102000      0.2150000    
 C    1.751700      -3.498300     -0.4174000    
 C    5.264800       1.802000     -0.3419000    
 H   -4.434200       1.588200      0.4366000    
 H   -4.361900      0.9717000      -1.216100    
 H   -2.590700     -0.6729000     -0.5123000    
 H   -2.654600     -2.8700000E-02   1.122400    
 H   -5.106500     -0.6788000       1.260400    
 H   -5.010000      -1.312700     -0.3840000    
 H   -1.970900       2.233700      0.2297000    
 H   -1.853500       1.540900      -1.385000    
 H   -7.348600     -0.7825000      0.2201000    
 H   -6.911300      0.9035000      0.5462000    
 H   -6.812800      0.2635000      -1.106200    
 H    2.260100     -3.1199999E-02   1.570400    
 H    1.555500      -2.346600       1.384300    
 H   0.3976000      -1.944100      8.9599997E-02
 H    4.553500      0.6006000       1.290600    
 H    4.616300     -0.2352000     -0.2833000    
 H    1.084800      -4.300900     -9.0000004E-02
 H    1.646600      -3.371200      -1.500000    
 H    2.787300      -3.802100     -0.2318000    
 H    6.320700       1.567200     -0.1811000    
 H    5.090900       1.930600      -1.415400    
 H    5.040000       2.762200      0.1341000    


%chk=000085389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085389

0 1
O 2.355161 -1.244545 -0.309160
O 3.025170 1.011985 -0.141117
C -4.332349 0.730942 -0.163870
C -2.888590 0.253593 0.103777
C -5.396783 -0.322362 0.219216
C -1.833738 1.328569 -0.284071
C -6.839271 0.153687 -0.056362
C 2.087358 0.048598 0.370531
C -0.445095 0.895091 -0.057754
C 0.719131 0.533688 0.130506
C 1.629138 -2.375051 0.299556
C 4.429970 0.701462 0.226398
C 2.079063 -3.643072 -0.425487
C 5.287600 1.846676 -0.305898
H -4.524226 1.666703 0.402136
H -4.443362 0.988292 -1.238123
H -2.686853 -0.672983 -0.468433
H -2.768805 -0.001435 1.174987
H -5.287976 -0.576100 1.293377
H -5.201340 -1.258442 -0.342612
H -2.027963 2.254914 0.293594
H -1.963050 1.594976 -1.352496
H -7.580422 -0.615962 0.227028
H -7.070621 1.072097 0.515617
H -6.983158 0.382326 -1.129242
H 2.252953 -0.116330 1.467488
H 1.861790 -2.430026 1.387464
H 0.535680 -2.218122 0.188690
H 4.504917 0.618679 1.333699
H 4.713393 -0.268820 -0.221281
H 1.557520 -4.527677 -0.016179
H 1.852239 -3.568551 -1.502804
H 3.166811 -3.792627 -0.311854
H 6.352400 1.673405 -0.064486
H 5.185079 1.923729 -1.401858
H 4.976629 2.807896 0.138324


