%chk=000107976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107976

0 1
 O    1.790600       2.028100       1.150700    
 O   -2.275600     -1.8700000E-02  -1.778400    
 O    4.397300       1.651200      0.4019000    
 O   -1.501100       2.570400      -1.240300    
 O   -4.866200      -1.036100       1.160800    
 C    1.452900      0.2762000     -0.5343000    
 C    1.117600      -1.244200     -0.7335000    
 C    1.651500      0.6235000      0.9573000    
 C    2.967500     -9.7300000E-02   1.269600    
 C    2.908800      0.5139000      -1.099900    
 C   -1.884100      0.3388000     -0.4371000    
 C    3.872300      0.3471000      9.7599998E-02
 C   0.4507000       1.187600      -1.278300    
 C   -1.338500     -0.9607000      0.2125000    
 C  -0.8645000       1.490200     -0.5417000    
 C    2.070700      -2.180800      5.7100002E-02
 C   -3.197700      0.6760000      0.4101000    
 C    2.667500      -1.597600       1.338600    
 C  -0.3309000      -1.727800     -0.6241000    
 C   -2.643400      -1.711500      0.5339000    
 C   -3.505100     -0.6449000       1.185900    
 C    5.082300     -0.5311000     -0.1980000    
 C   -2.986000       1.773300       1.476900    
 C   -4.379400       1.117800     -0.4769000    
 C  -0.6572000      -2.843300      -1.310400    
 H    1.355300      -1.431000      -1.795000    
 H   0.8413000      0.2864000       1.604800    
 H    3.379800      0.2500000       2.224600    
 H    3.138800     -0.1907000      -1.907200    
 H    3.007200       1.518600      -1.529300    
 H   0.2420000      0.7891000      -2.279900    
 H   0.9328000       2.155900      -1.473700    
 H  -0.8790000     -0.7334000       1.179900    
 H  -0.6301000       1.868500      0.4553000    
 H    2.892600      -2.455400     -0.6146000    
 H    1.593400      -3.137900      0.3029000    
 H    1.960300      -1.773500       2.160000    
 H    3.575300      -2.153200       1.601400    
 H   -3.148100      -2.101500     -0.3580000    
 H   -2.479300      -2.559000       1.208900    
 H   -3.214800     -0.5574000       2.239900    
 H    4.819300      -1.533300     -0.5392000    
 H    5.709100     -7.0900001E-02 -0.9709000    
 H    5.711900     -0.6260000      0.6940000    
 H   -3.871700       1.869300       2.116500    
 H   -2.137600       1.542200       2.130500    
 H   -2.812600       2.754700       1.024300    
 H   -4.132200       2.023100      -1.041400    
 H   -4.667900      0.3436000      -1.195700    
 H   -5.264800       1.347600      0.1273000    
 H    1.970000       2.173900       2.095300    
 H   -2.479100      0.8020000      -2.258400    
 H    3.655900       2.263300      0.5400000    
 H   -1.650000      -3.273900      -1.313800    
 H   8.2599998E-02  -3.371000      -1.905600    
 H  -0.9124000       3.342600      -1.188600    
 H   -5.097800      -1.303900      0.2560000    


%chk=000107976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107976

0 1
O 1.665880 2.008141 1.135146
O -2.323892 -0.042244 -1.808687
O 4.360960 1.741497 0.511615
O -1.608058 2.522466 -1.359091
O -5.002274 -0.981241 1.155977
C 1.453890 0.241404 -0.583132
C 1.117571 -1.277335 -0.821349
C 1.607363 0.525243 0.940389
C 2.950423 -0.156014 1.274956
C 2.926573 0.483476 -1.100986
C -1.908727 0.339029 -0.446556
C 3.887500 0.383508 0.137969
C 0.436442 1.156500 -1.312964
C -1.366159 -0.977874 0.212567
C -0.876739 1.481805 -0.574481
C 2.197475 -2.187925 -0.130897
C -3.183805 0.722123 0.451767
C 2.690736 -1.685751 1.249901
C -0.332919 -1.775019 -0.580491
C -2.680012 -1.727907 0.532098
C -3.574038 -0.645219 1.163593
C 5.181716 -0.400787 -0.092761
C -2.866019 1.770259 1.550314
C -4.350377 1.261127 -0.408944
C -0.652055 -2.987360 -1.109070
H 1.268283 -1.411127 -1.912634
H 0.777128 0.129289 1.553117
H 3.351622 0.145105 2.261907
H 3.195604 -0.247892 -1.884247
H 3.034685 1.489319 -1.544028
H 0.192016 0.719983 -2.300966
H 0.935750 2.130693 -1.493728
H -0.921433 -0.677230 1.185645
H -0.627459 1.895192 0.417253
H 3.069461 -2.260077 -0.808003
H 1.798401 -3.212097 -0.031541
H 1.937717 -1.922469 2.029658
H 3.612022 -2.230101 1.530480
H -3.141638 -2.076056 -0.411481
H -2.534166 -2.598391 1.193830
H -3.362281 -0.560978 2.244860
H 4.991607 -1.439557 -0.410207
H 5.777514 0.101799 -0.874577
H 5.785798 -0.416012 0.831449
H -3.750602 1.881256 2.204948
H -2.019323 1.463887 2.195698
H -2.637415 2.757618 1.112131
H -4.053400 2.204146 -0.898355
H -4.643902 0.547535 -1.199649
H -5.229958 1.452093 0.230262
H 1.701789 2.191108 2.108556
H -2.485157 0.817782 -2.283283
H 3.534166 2.280066 0.668213
H -1.637901 -3.444084 -0.995699
H 0.077541 -3.562665 -1.694010
H -0.963103 3.219136 -1.638859
H -5.294624 -1.100273 0.216676


