%chk=000163990.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163990

0 1
 O   -4.520200      0.5141000     -0.7037000    
 O   -2.802300      0.3650000       1.403100    
 O  -0.8735000       2.281300      1.0900000E-02
 O  -0.4677000      -1.244000       2.812100    
 O    1.200900      -1.530100     -0.4391000    
 O   0.7298000       3.925300      0.2669000    
 O    3.032400      -1.631500      0.9607000    
 C   -3.120900      0.7439000     -0.9289000    
 C   -2.186500      0.1756000      0.1260000    
 C   -3.844400     -0.3787000      -1.588300    
 C   -3.366000      -1.669600     -0.9939000    
 C   -2.110900      -1.332300     -0.1855000    
 C  -0.8112000      0.8443000      0.1111000    
 C  -1.8300001E-02  0.6363000       1.393200    
 C   -2.896300       2.012700      -1.651600    
 C   -1.066900      -2.179500     -2.3900000E-02
 C   0.3632000     -0.8072000       1.727200    
 C   0.2842000      -1.852900      0.6065000    
 C    1.021300       1.678800       1.140300    
 C   0.3327000       2.786100      0.4260000    
 C   -1.135700      -3.619400     -0.4947000    
 C    2.324600       1.725900       1.420700    
 C    2.457900      -1.214100     -3.0700000E-02
 C    3.001600     -0.2432000      -1.009900    
 C    4.303900     -8.1100002E-02  -1.306000    
 C    4.715400      0.9488000      -2.326800    
 C    5.452800     -0.8544000     -0.7218000    
 H   -4.064300     -0.3729000      -2.642800    
 H   -3.157000      -2.366800      -1.810000    
 H   -4.134000      -2.097700     -0.3410000    
 H  -0.2691000      0.5198000     -0.7892000    
 H  -0.5888000       1.037300       2.245900    
 H   -3.665300       2.172800      -2.417900    
 H   -2.957800       2.874100     -0.9796000    
 H   -1.939600       2.014800      -2.183100    
 H    1.348800     -0.7977000       2.191700    
 H   0.6322000      -2.790800       1.065100    
 H   -2.894100       1.322700       1.547000    
 H  -0.4598000      -3.770000      -1.342800    
 H   -2.136000      -3.939300     -0.7955000    
 H  -0.8356000      -4.297800      0.3118000    
 H   -1.394800      -1.189600       2.525800    
 H    2.821000      0.9284000       1.960100    
 H    2.932600       2.580000       1.140900    
 H    2.259100      0.3528000      -1.536200    
 H    3.861900       1.509000      -2.723400    
 H    5.217900      0.4669000      -3.171900    
 H    5.404600       1.671200      -1.877200    
 H    6.115700      -1.205100      -1.520700    
 H    5.144100      -1.742400     -0.1670000    
 H    6.034200     -0.2145000     -5.0400000E-02


%chk=000163990-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163990

0 1
O -4.745336 0.017058 -0.206309
O -2.780758 0.174689 1.547227
O -1.111856 2.537421 -0.015716
O -0.669283 -1.147529 2.759576
O 1.293616 -0.935684 -0.454790
O 0.386706 4.296110 0.337638
O 3.102869 -1.844859 0.720545
C -3.491309 0.754762 -0.734770
C -2.298279 0.241250 0.133275
C -4.043504 -0.421415 -1.483300
C -3.173736 -1.651483 -1.298717
C -2.018151 -1.192602 -0.396199
C -0.987429 1.044525 0.125594
C -0.186832 0.895212 1.442020
C -3.727500 2.193534 -1.107460
C -0.896237 -1.941941 -0.176815
C 0.247743 -0.545211 1.787526
C 0.361008 -1.518379 0.584218
C 0.810100 2.028261 1.291928
C 0.092064 3.104086 0.519161
C -0.756094 -3.346614 -0.739979
C 2.071922 2.180258 1.758316
C 2.679128 -1.176042 -0.258681
C 3.431182 -0.533493 -1.350673
C 4.793659 -0.548698 -1.518724
C 5.410134 0.168986 -2.703340
C 5.771547 -1.242947 -0.596176
H -4.662795 -0.299445 -2.378363
H -2.799745 -1.996205 -2.281917
H -3.758245 -2.484644 -0.863382
H -0.380874 0.714386 -0.734837
H -0.879434 1.204531 2.252257
H -4.701578 2.282409 -1.618540
H -3.727518 2.839669 -0.214993
H -2.930732 2.565656 -1.772955
H 1.230971 -0.535867 2.288913
H 0.853530 -2.425072 0.981720
H -3.744329 -0.085713 1.469241
H 0.202456 -3.446842 -1.284272
H -1.571064 -3.630488 -1.423499
H -0.732657 -4.085659 0.084812
H -1.597433 -0.863718 2.493987
H 2.580908 1.398143 2.331934
H 2.618529 3.110279 1.565862
H 2.805943 -0.000329 -2.075108
H 4.654957 0.663006 -3.336641
H 5.983860 -0.541092 -3.330786
H 6.132577 0.934719 -2.359020
H 6.361994 -1.988496 -1.164784
H 5.270828 -1.744309 0.243343
H 6.500279 -0.508878 -0.198846


