%chk=000047945.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047945

0 1
 O   -2.544200      0.2154000       2.227200    
 O   -1.023300       1.445300      0.1006000    
 O    1.940400      -1.074600      -1.860600    
 O    3.759400       2.262500     -0.1329000    
 C  -0.7483000      -2.079700     -0.2356000    
 C   -1.082300      -1.285600       1.047700    
 C   -2.339500     -0.4004000      0.9579000    
 C   -2.206500      0.6768000     -0.1408000    
 C   -3.406500       1.647300     -0.2621000    
 C   0.5641000      -2.890700     -9.7400002E-02
 C   -1.879800      -3.038200     -0.6265000    
 C    1.785300      -2.062500      0.3210000    
 C   -4.718400      0.9227000     -0.5680000    
 C   -3.143000       2.699500      -1.348400    
 C    2.162800     -0.9496000     -0.6561000    
 C    2.814400      0.2657000     -0.1371000    
 C    3.146300      0.5467000       1.183100    
 C    3.189900       1.307300     -0.9136000    
 C    3.729100       1.792000       1.141600    
 H  -0.6069000      -1.379500      -1.065400    
 H   -1.207600      -1.985400       1.885300    
 H  -0.2427000     -0.6460000       1.340000    
 H   -3.210400      -1.035300      0.7705000    
 H   -2.073100      0.1920000      -1.113500    
 H   -3.522100       2.198000      0.6799000    
 H   0.4215000      -3.688800      0.6424000    
 H   0.7793000      -3.385700      -1.053100    
 H   -1.596700      -3.640200      -1.496900    
 H   -2.789000      -2.493000     -0.8967000    
 H   -2.120600      -3.722500      0.1940000    
 H    2.655700      -2.727400      0.3857000    
 H    1.626100      -1.664600       1.325300    
 H   -5.012000      0.2657000      0.2560000    
 H   -4.633400      0.3160000      -1.475800    
 H   -5.534200       1.638700     -0.7153000    
 H   -3.993300       3.384100      -1.439800    
 H   -2.262200       3.305500      -1.113100    
 H   -2.982400       2.228800      -2.324400    
 H   -3.433000      0.6083000       2.227100    
 H   -1.121200       1.867600      0.9712000    
 H    3.005000     -4.6399999E-02   2.074600    
 H    3.138900       1.536200      -1.968300    
 H    4.152300       2.444900       1.891000    


%chk=000047945-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047945

0 1
O -3.333503 -0.347710 2.140019
O -1.111282 1.197816 1.630328
O 2.576401 -2.030530 -1.510830
O 3.140499 2.207460 -1.430678
C -0.858610 -2.346985 -0.013500
C -1.585154 -1.731740 1.217055
C -2.577050 -0.608538 0.877778
C -1.884057 0.719867 0.464241
C -2.851837 1.823145 -0.053256
C 0.512020 -2.948884 0.405064
C -1.735872 -3.416992 -0.705199
C 1.584329 -1.870592 0.707832
C -3.610632 1.368745 -1.325650
C -2.069744 3.128560 -0.327819
C 2.193966 -1.272380 -0.566329
C 2.372982 0.197622 -0.656633
C 1.773748 1.260559 0.146668
C 3.185971 0.826196 -1.598882
C 2.254332 2.452982 -0.350752
H -0.650949 -1.545831 -0.754849
H -2.142750 -2.528674 1.745514
H -0.851885 -1.322425 1.936545
H -3.275218 -0.941840 0.085416
H -1.131252 0.521281 -0.321652
H -3.594005 2.034699 0.749753
H 0.367632 -3.590395 1.297326
H 0.899445 -3.596680 -0.404074
H -1.254456 -3.787729 -1.628493
H -2.732316 -3.021188 -0.979053
H -1.892953 -4.282351 -0.032980
H 2.426370 -2.341985 1.255516
H 1.185361 -1.078129 1.364195
H -4.296395 0.521327 -1.142210
H -2.898355 1.064007 -2.116574
H -4.215203 2.202121 -1.727011
H -2.758501 3.951450 -0.593531
H -1.484913 3.423682 0.559201
H -1.365046 2.988827 -1.170476
H -4.153606 0.168013 1.929664
H -1.692332 1.015715 2.420884
H 1.045615 1.159886 0.953887
H 3.825883 0.449204 -2.390755
H 2.101221 3.499314 -0.104997


