%chk=000057725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057725

0 1
 O    3.841400      -1.332600       1.366700    
 O    5.866800     -0.6727000     -0.2992000    
 C  -0.2570000     -0.6049000     -4.6399999E-02
 C  -0.3552000      0.8135000      2.4499999E-02
 C    2.124500     -0.4391000     -3.9000001E-02
 C   -2.486400     -4.6799999E-02 -1.5699999E-02
 C   -1.616700      -1.126700     -6.9499999E-02
 C   -1.774200       1.142800      4.1900001E-02
 C    3.491800      -1.087000      1.2000001E-03
 C    2.026100      0.9805000      2.7500000E-02
 C   0.9704000      -1.238000     -7.3399998E-02
 C   0.7734000       1.611100      6.5300003E-02
 C    4.569000     -0.1982000     -0.6457000    
 C   -3.876200     -0.1431000     -1.9500000E-02
 C    3.250900       1.791900      5.9300002E-02
 C    4.433900       1.250300     -0.2642000    
 C   -2.135800      -2.406500     -0.1320000    
 C   -2.465300       2.338700      0.1008000    
 C   -4.400700      -1.448800     -8.3099999E-02
 C   -4.576100       1.077800      3.9799999E-02
 C   -3.533600      -2.561500     -0.1385000    
 C   -3.871000       2.299500      9.9100001E-02
 H    3.482100      -2.058600     -0.5067000    
 H    1.043100      -2.320100     -0.1109000    
 H   0.6881000       2.692100      0.1187000    
 H    4.488100     -0.2573000      -1.738100    
 H    3.173600       2.845200      0.3061000    
 H    5.318800       1.879800     -0.2874000    
 H   -1.491600      -3.278300     -0.1757000    
 H   -1.947800       3.291200      0.1469000    
 H   -5.475800      -1.609900     -9.0499997E-02
 H   -5.663100       1.089100      4.0600002E-02
 H   -3.957700      -3.561700     -0.1875000    
 H   -4.429200       3.231600      0.1446000    
 H    3.083100      -1.756700       1.803400    
 H    5.929700     -0.6830000      0.6714000    


%chk=000057725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057725

0 1
O 3.921964 -1.411640 1.391184
O 5.957942 -0.782064 -0.293728
C -0.276340 -0.627249 -0.072204
C -0.373868 0.811820 0.030240
C 2.158032 -0.451251 -0.075360
C -2.535722 -0.058988 -0.023208
C -1.648861 -1.181282 -0.106670
C -1.811667 1.173472 0.061566
C 3.529991 -1.098624 -0.024995
C 2.065970 0.977943 0.017285
C 0.987944 -1.244223 -0.115581
C 0.787847 1.599441 0.079280
C 4.649002 -0.221107 -0.644844
C -3.949494 -0.155876 -0.025450
C 3.302391 1.781081 0.055150
C 4.520307 1.234736 -0.227888
C -2.206027 -2.462307 -0.195381
C -2.537656 2.366519 0.148573
C -4.497186 -1.482772 -0.118013
C -4.672926 1.083764 0.064962
C -3.638097 -2.591874 -0.199625
C -3.974017 2.300145 0.148809
H 3.537344 -2.089836 -0.506128
H 1.081924 -2.334886 -0.170821
H 0.724964 2.691455 0.153719
H 4.590120 -0.288471 -1.749722
H 3.211043 2.847310 0.297993
H 5.444346 1.823416 -0.218364
H -1.584874 -3.362355 -0.261018
H -2.044778 3.342714 0.215741
H -5.583749 -1.628355 -0.124807
H -5.769249 1.079631 0.068216
H -4.070299 -3.596487 -0.269503
H -4.539719 3.236234 0.216932
H 3.628218 -0.658381 1.967432
H 5.856583 -1.118052 0.641030


