%chk=000083138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083138

0 1
 O    2.116900       1.990300      0.3829000    
 O   -2.488500      0.4381000      -1.288100    
 O    2.132600      0.5920000     -2.1000000E-02
 O   -2.657400     -0.4370000     -0.1372000    
 O    4.403900      0.9672000      8.1000000E-02
 O   -1.406200      -1.833800      -1.476500    
 C  -0.2306000       1.960800     -0.1716000    
 C   -1.692500       2.071500      0.2985000    
 C   0.8167000       2.200100      0.9376000    
 C   -2.739500       1.754400     -0.7915000    
 C   0.7370000       3.655500       1.411800    
 C   0.6385000       1.255400       2.128300    
 C   -4.174300       1.807700     -0.2620000    
 C   -2.578200       2.735700      -1.957800    
 C    3.563600      -1.238200     -0.5526000    
 C   -2.130100      -2.593200      0.7304000    
 C    3.448200      0.2297000     -0.1284000    
 C   -2.005300      -1.603700     -0.4328000    
 C    2.877100      -1.434100      -1.914100    
 C    5.044200      -1.620200     -0.6813000    
 C    2.869400      -2.127400      0.4878000    
 C   -3.614800      -2.899700      0.9859000    
 C   -1.405900      -3.898200      0.3740000    
 C   -1.524600      -1.972900       1.996700    
 H  -3.4600001E-02   2.670200     -0.9847000    
 H  -8.7700002E-02  0.9699000     -0.6174000    
 H   -1.880800       3.086500      0.6687000    
 H   -1.847000       1.405200       1.153500    
 H   0.8462000       4.348400      0.5697000    
 H    1.563100       3.877900       2.097700    
 H  -0.1991000       3.879700       1.931300    
 H   0.5624000      0.2129000       1.810100    
 H  -0.2521000       1.494000       2.717900    
 H    1.505600       1.313000       2.797000    
 H   -4.310400       1.181800      0.6267000    
 H   -4.883000       1.444200      -1.014700    
 H   -4.454900       2.830200      1.3100000E-02
 H   -1.637700       2.581200      -2.496300    
 H   -3.367900       2.574800      -2.701700    
 H   -2.634400       3.777000      -1.624600    
 H    2.989200      -2.464100      -2.270700    
 H    3.306600     -0.7658000      -2.669300    
 H    1.804000      -1.216600      -1.862900    
 H    5.159500      -2.665500     -0.9890000    
 H    5.569600      -1.493900      0.2724000    
 H    5.554800     -0.9946000      -1.422500    
 H    2.986100      -3.189000      0.2429000    
 H    3.290600      -1.963100       1.486300    
 H    1.795600      -1.918600      0.5504000    
 H   -3.735700      -3.651700       1.773700    
 H   -4.098300      -3.279900      7.8599997E-02
 H   -4.166200      -2.004300       1.295200    
 H   -1.476800      -4.626900       1.189300    
 H  -0.3422000      -3.720200      0.1781000    
 H   -1.832000      -4.358200     -0.5251000    
 H   -1.623200      -2.650100       2.852600    
 H  -0.4577000      -1.775900       1.855000    
 H   -2.005200      -1.026200       2.265700    


%chk=000083138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083138

0 1
O 2.430914 1.795945 1.129581
O -2.064267 0.317597 -1.245698
O 2.646044 0.375146 0.586345
O -2.619541 -0.541654 -0.091811
O 2.950406 1.377801 -1.528382
O -0.571484 -1.698717 -0.205452
C 0.124305 1.817477 0.199277
C -1.379688 2.120036 0.370422
C 0.968193 1.955186 1.489803
C -2.239728 1.769427 -0.872854
C 1.004353 3.401002 2.030815
C 0.603809 0.933139 2.583595
C -3.729860 2.074699 -0.633330
C -1.724044 2.421285 -2.176536
C 3.228841 -1.078618 -1.269763
C -2.412015 -2.544558 1.245456
C 2.934832 0.368662 -0.802500
C -1.719561 -1.571111 0.258400
C 2.237447 -1.371293 -2.434701
C 4.692906 -1.075986 -1.800687
C 3.060400 -2.143702 -0.157909
C -3.018876 -3.683617 0.367507
C -1.319147 -3.124173 2.181256
C -3.529503 -1.867145 2.079467
H 0.571254 2.489747 -0.555403
H 0.226017 0.784269 -0.180628
H -1.540876 3.193998 0.589201
H -1.791952 1.554166 1.227935
H 1.286143 4.110922 1.234427
H 1.733190 3.488609 2.855051
H 0.008496 3.677658 2.419765
H 0.668261 -0.093823 2.185231
H -0.421216 1.105810 2.959759
H 1.302926 1.023714 3.432884
H -4.098698 1.555002 0.267374
H -4.332999 1.746506 -1.497268
H -3.877840 3.161165 -0.494716
H -0.711678 2.068474 -2.431770
H -2.398842 2.191199 -3.018029
H -1.688425 3.517361 -2.041595
H 2.468793 -2.362772 -2.866169
H 2.329996 -0.609550 -3.227885
H 1.195593 -1.386965 -2.068893
H 4.928915 -2.070515 -2.221755
H 5.412849 -0.866300 -0.988510
H 4.823619 -0.315927 -2.590101
H 3.310219 -3.136346 -0.578004
H 3.729521 -1.951589 0.698342
H 2.019584 -2.175688 0.206226
H -3.496519 -4.433517 1.024370
H -2.234471 -4.187598 -0.224094
H -3.783994 -3.289575 -0.324654
H -1.765339 -3.902562 2.826246
H -0.892074 -2.339902 2.832732
H -0.496105 -3.571582 1.599674
H -3.962710 -2.611505 2.772849
H -3.131174 -1.030879 2.681982
H -4.338602 -1.476533 1.440122


