%chk=000049856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049856

0 1
 O   -3.800600     -0.6728000     -0.1461000    
 O   -5.856100      0.1740000      0.4825000    
 C    3.529100     -0.2472000      7.6000001E-03
 C    5.037000     -0.1456000     -0.2310000    
 C    2.780600      0.8995000     -0.6751000    
 C    5.789200      -1.271500      0.4780000    
 C  -0.9351000       1.709500      0.3515000    
 C    1.297400      0.7813000     -0.4676000    
 C   -1.676600      0.4305000     -4.2399999E-02
 C   0.5497000       1.735900      0.1066000    
 C    7.290900      -1.155000      0.2710000    
 C   -3.172000      0.5465000      0.2245000    
 C   -5.155300     -0.7242000      3.6100000E-02
 C   -5.678100      -2.060800     -0.3955000    
 H    3.325800     -0.2294000       1.086000    
 H    3.164100      -1.210300     -0.3714000    
 H    5.243300     -0.1851000      -1.307500    
 H    5.400800      0.8232000      0.1324000    
 H    3.153600       1.859700     -0.2988000    
 H    2.980200      0.8800000      -1.753300    
 H    5.447200      -2.242500      0.1013000    
 H    5.572900      -1.245700       1.552400    
 H   -1.375000       2.558600     -0.1864000    
 H   -1.098600       1.897200       1.420200    
 H   0.8356000     -0.1344000     -0.8250000    
 H   -1.277400     -0.4306000      0.5085000    
 H   -1.525100      0.2086000      -1.106400    
 H    1.046500       2.644300      0.4431000    
 H    7.669700     -0.2080000      0.6685000    
 H    7.808800      -1.970600      0.7853000    
 H    7.545500      -1.207900     -0.7924000    
 H   -3.595500       1.369300     -0.3635000    
 H   -3.348800      0.7383000       1.289400    
 H   -5.219900      -2.849600      0.2063000    
 H   -5.468800      -2.215100      -1.457000    
 H   -6.761100      -2.092500     -0.2455000    


%chk=000049856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049856

0 1
O -3.791647 -0.691309 -0.176929
O -5.874028 0.072610 0.541937
C 3.531272 -0.202190 0.066073
C 5.049998 -0.182449 -0.216332
C 2.764274 0.932138 -0.666199
C 5.819056 -1.312618 0.505276
C -0.977637 1.837561 0.355105
C 1.267414 0.868980 -0.446406
C -1.697234 0.535017 -0.058688
C 0.519367 1.860684 0.104427
C 7.336366 -1.286011 0.220855
C -3.191924 0.609403 0.249638
C -5.169832 -0.827331 0.029959
C -5.643348 -2.184649 -0.443092
H 3.352031 -0.115348 1.156569
H 3.113026 -1.183205 -0.242002
H 5.221914 -0.263582 -1.310427
H 5.468922 0.798707 0.091068
H 3.153571 1.915555 -0.335379
H 2.986557 0.852900 -1.752225
H 5.400274 -2.292124 0.196079
H 5.644261 -1.231909 1.597560
H -1.439854 2.698639 -0.174880
H -1.157897 2.030682 1.435121
H 0.781613 -0.068351 -0.758183
H -1.257447 -0.326541 0.477852
H -1.556266 0.351347 -1.140306
H 1.029057 2.788588 0.410124
H 7.783997 -0.329061 0.549593
H 7.862581 -2.103422 0.747225
H 7.538588 -1.395442 -0.861420
H -3.696660 1.424935 -0.301497
H -3.392567 0.750718 1.328219
H -5.104347 -2.983996 0.094368
H -5.425405 -2.309482 -1.517949
H -6.724147 -2.281843 -0.268837


