%chk=000161373.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161373

0 1
 O  -8.9500003E-02   1.371200       1.710700    
 O  -6.8899997E-02  -2.035000     -0.5281000    
 O  -5.8300000E-02   3.511400       2.592300    
 O    4.566200      -2.643100      0.2073000    
 O   -4.798800      -2.174400     -0.5923000    
 C  -8.9999996E-03  0.7356000      0.3955000    
 C   0.1272000       1.921800     -0.5039000    
 C    1.212500     -0.1622000      0.3780000    
 C   -1.292700     -3.6800001E-02  0.1642000    
 C   0.1212000       3.082900      0.2481000    
 C    1.108700      -1.475000     -9.5700003E-02
 C   -1.241200      -1.357500     -0.2963000    
 C  -1.6000001E-02   2.739600       1.655300    
 C    2.472900      0.2968000      0.8000000    
 C   -2.554400      0.5484000      0.3708000    
 C   0.2482000       1.985700      -1.883100    
 C   0.2324000       4.340100     -0.3162000    
 C    2.233300      -2.304700     -0.1572000    
 C   -2.415700      -2.072300     -0.5539000    
 C    3.593600     -0.5335000      0.7453000    
 C   -3.726600     -0.1673000      0.1206000    
 C   0.3625000       3.243300      -2.483000    
 C    3.474100      -1.833800      0.2646000    
 C   -3.657100      -1.477200     -0.3436000    
 C   0.3546000       4.412600      -1.704200    
 C    5.831000      -2.014500      3.8999999E-03
 C   -5.943300      -1.849100      0.1955000    
 C    6.745400      -2.972300     -0.7297000    
 C   -6.812200      -3.080800      0.3349000    
 H    2.595600       1.309100       1.176900    
 H   -2.638200       1.575000      0.7187000    
 H   0.2550000       1.086400      -2.489700    
 H   0.2260000       5.240200      0.2877000    
 H    2.140000      -3.321600     -0.5312000    
 H   -2.361800      -3.096600     -0.9151000    
 H    4.534900     -0.1327000       1.109800    
 H   -4.671400      0.3465000      0.2715000    
 H   0.4584000       3.318600      -3.562800    
 H   0.4446000       5.380900      -2.188800    
 H    5.742900      -1.109100     -0.6095000    
 H    6.265800      -1.758200      0.9763000    
 H   -5.664600      -1.527200       1.206700    
 H   -6.507200      -1.051900     -0.3013000    
 H    7.730100      -2.525800     -0.8935000    
 H    6.868800      -3.899700     -0.1606000    
 H    6.317000      -3.248800      -1.698800    
 H   -7.706700      -2.864500      0.9259000    
 H   -7.120300      -3.448600     -0.6495000    
 H   -6.257200      -3.892000      0.8178000    


%chk=000161373-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161373

0 1
O 0.090457 1.216748 1.830665
O -0.015259 -2.261847 0.220637
O 0.156090 3.284408 2.920419
O 4.698318 -2.648740 -0.170594
O -4.753261 -2.471537 0.059124
C 0.043401 0.701881 0.343733
C 0.048800 2.018864 -0.431105
C 1.278236 -0.148138 0.137334
C -1.231163 -0.100926 0.199770
C 0.091371 3.116514 0.450033
C 1.205082 -1.565504 0.132827
C -1.211438 -1.520121 0.191880
C 0.117421 2.631303 1.859494
C 2.565244 0.430540 0.026291
C -2.499407 0.525749 0.153087
C 0.018077 2.220574 -1.822989
C 0.104760 4.446575 -0.016236
C 2.348522 -2.374966 0.028282
C -2.388159 -2.285972 0.143696
C 3.730641 -0.348178 -0.079669
C -3.696996 -0.208611 0.105018
C 0.030929 3.551717 -2.305638
C 3.617609 -1.766704 -0.074159
C -3.637088 -1.630441 0.103962
C 0.073853 4.656449 -1.413117
C 6.057788 -2.073991 -0.267082
C -6.093705 -1.846900 0.031847
C 7.024610 -3.250098 -0.367324
C -7.107126 -2.986141 -0.025139
H 2.655521 1.522142 0.035183
H -2.547699 1.619968 0.166650
H -0.014802 1.372394 -2.514702
H 0.138162 5.278466 0.694756
H 2.255811 -3.463211 0.026182
H -2.336550 -3.376915 0.136903
H 4.703382 0.143733 -0.155706
H -4.653067 0.319786 0.078253
H 0.007560 3.734382 -3.385754
H 0.083019 5.675378 -1.814808
H 6.119514 -1.423916 -1.163789
H 6.260510 -1.459475 0.633569
H -6.229226 -1.230367 0.943635
H -6.175255 -1.190101 -0.858340
H 8.063537 -2.880961 -0.443039
H 6.946637 -3.895788 0.523731
H 6.803706 -3.860824 -1.259119
H -8.134263 -2.578723 -0.044760
H -6.955136 -3.597665 -0.930641
H -7.007168 -3.640909 0.857050


