%chk=000001689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001689

0 1
 O    1.605300      -4.048400      0.7407000    
 O  -0.6482000      -3.979000       1.153600    
 O    2.637500       3.131700       1.576100    
 O    4.258300       2.867700     -0.1863000    
 O   -3.056100      0.9370000      -2.639200    
 O   -4.174900      0.3942000       1.986000    
 O   -4.867500       1.225700     -0.5630000    
 C   0.3591000      -2.382200     -0.3833000    
 C    1.678300      -2.620800      -1.096500    
 C   0.2330000      -1.051600      0.4034000    
 C    2.275100      -1.385000      -1.747300    
 C    1.355700     -4.1299999E-02  0.1974000    
 C    2.530300      -3.267300     -2.3600001E-02
 C    2.325500     -0.2024000     -0.8212000    
 C   0.3408000      -3.552100      0.5768000    
 C   -1.141400     -0.4382000      0.1425000    
 C    1.427200       1.078400       1.050900    
 C    3.328300      0.7656000      -1.005700    
 C    2.433200       1.999800      0.8491000    
 C    3.356600       1.849200     -0.1543000    
 C   -2.040400     -0.3004000       1.192100    
 C   -1.475900     -2.5699999E-02  -1.141000    
 C   -2.731200      0.5343000      -1.378800    
 C   -3.295700      0.2595000      0.9542000    
 C    3.795900       3.678200      0.9132000    
 C   -3.641100      0.6770000     -0.3312000    
 C   -2.743400       2.283500      -2.990000    
 C   -4.124300       1.612600       2.725700    
 H  -0.4574000      -2.537400      -1.099200    
 H    1.513600      -3.375000      -1.880100    
 H   0.2842000      -1.301000       1.474500    
 H    1.672000      -1.102900      -2.619400    
 H    3.281900      -1.624300      -2.111200    
 H    3.290500      -3.926700     -0.4532000    
 H    3.021600      -2.556800      0.6488000    
 H   0.7071000       1.221000       1.850600    
 H    4.066900      0.6635000      -1.794400    
 H   -1.778800     -0.6242000       2.196000    
 H  -0.7739000     -0.1323000      -1.963700    
 H    4.606600       3.773400       1.644600    
 H    3.545300       4.675400      0.5334000    
 H   -4.947900       1.416100      -1.513400    
 H   -1.660600       2.442500      -2.963600    
 H   -3.242000       2.987300      -2.316000    
 H   -3.098400       2.463500      -4.008400    
 H   -3.145100       1.732500       3.200000    
 H   -4.888500       1.571500       3.506600    
 H   -4.333900       2.467800       2.075400    


%chk=000001689-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001689

0 1
O 2.564483 -3.274926 1.113366
O 1.613703 -2.359093 3.017163
O 3.863348 3.077384 0.947185
O 4.636063 2.427092 -1.227329
O -2.877084 2.398355 -1.762031
O -4.640645 -1.071111 1.133934
O -4.991942 1.121569 -0.834479
C 0.499981 -2.052885 0.802478
C 0.985080 -2.486163 -0.614103
C 0.262900 -0.515680 1.002932
C 1.171269 -1.285368 -1.584018
C 1.428985 0.252183 0.391493
C 2.327831 -3.242350 -0.356759
C 1.885126 -0.131763 -0.902198
C 1.573794 -2.543585 1.789265
C -1.126760 -0.074407 0.492052
C 2.048339 1.322639 1.094490
C 2.975640 0.541906 -1.520859
C 3.114694 1.969860 0.468552
C 3.568998 1.588435 -0.811713
C -2.284993 -0.699918 1.004780
C -1.275949 0.988731 -0.434956
C -2.567388 1.373948 -0.836815
C -3.587347 -0.317203 0.598690
C 4.984202 3.222521 -0.017967
C -3.734275 0.726377 -0.349125
C -1.765074 3.163208 -2.328178
C -5.905064 -0.385272 1.476324
H -0.432526 -2.581051 1.069991
H 0.253308 -3.181644 -1.059630
H 0.272496 -0.356630 2.100127
H 0.168263 -0.959379 -1.922086
H 1.722125 -1.613208 -2.485624
H 2.307026 -4.290324 -0.697068
H 3.193465 -2.722153 -0.802160
H 1.707540 1.617831 2.090503
H 3.335570 0.252320 -2.512213
H -2.221583 -1.493752 1.756895
H -0.391236 1.502693 -0.819462
H 5.905299 2.806378 0.432840
H 5.080029 4.281387 -0.300956
H -4.838442 1.861351 -1.482763
H -1.085700 2.506388 -2.904147
H -1.196831 3.680219 -1.532055
H -2.227822 3.902098 -2.998619
H -5.716851 0.430355 2.200356
H -6.524712 -1.165762 1.943341
H -6.394130 0.022301 0.578155


