%chk=000089428.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089428

0 1
 O    3.310000      0.5162000       1.005600    
 C    2.324800      0.3860000     -2.9700000E-02
 C   0.9462000      0.3702000      0.6720000    
 C  -0.2687000      0.2610000     -0.2555000    
 C   -1.568300      0.1775000      0.5517000    
 C    2.588000     -0.9276000     -0.7977000    
 C    2.476300       1.614300     -0.9315000    
 C   -2.819500      3.9600000E-02 -0.3208000    
 C   -4.118900     -1.7800000E-02  0.4835000    
 C    2.452900      -2.192000      4.5000002E-02
 C   -5.322700     -0.2274000     -0.4225000    
 H   0.8511000       1.290200       1.266400    
 H   0.9202000     -0.4316000       1.421000    
 H  -0.3158000       1.129200     -0.9218000    
 H  -0.1891000     -0.6314000     -0.8850000    
 H   -1.516100     -0.6790000       1.235400    
 H   -1.663800       1.075300       1.175100    
 H    1.928400      -1.004200      -1.669600    
 H    3.614600     -0.9057000      -1.186600    
 H    3.498800       1.686100      -1.320200    
 H    1.793500       1.583500      -1.785800    
 H    2.293900       2.537500     -0.3699000    
 H   -2.865400      0.8838000      -1.020000    
 H   -2.728800     -0.8693000     -0.9288000    
 H   -4.246100      0.9120000       1.049600    
 H   -4.069500     -0.8368000       1.210200    
 H    3.070700      -2.141500      0.9467000    
 H    2.780200      -3.060800     -0.5361000    
 H    1.415400      -2.372300      0.3403000    
 H    4.188200      0.5033000      0.5880000    
 H   -5.238900      -1.168400     -0.9756000    
 H   -5.416400      0.5893000      -1.145300    
 H   -6.241500     -0.2631000      0.1710000    


%chk=000089428-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089428

0 1
O 3.298574 0.474472 1.118599
C 2.336401 0.385270 -0.023210
C 0.962196 0.368203 0.686771
C -0.267130 0.188285 -0.230255
C -1.594054 0.205521 0.563069
C 2.634280 -0.905361 -0.839582
C 2.512840 1.635664 -0.914149
C -2.842351 -0.003560 -0.322839
C -4.166880 0.016879 0.474179
C 2.510995 -2.216817 -0.037402
C -5.410023 -0.212552 -0.411913
H 0.870108 1.316621 1.251983
H 0.981581 -0.439342 1.443059
H -0.296982 0.989969 -0.995886
H -0.192633 -0.771428 -0.781531
H -1.562472 -0.584125 1.342783
H -1.684163 1.170709 1.103949
H 1.966245 -0.936958 -1.723212
H 3.665661 -0.817076 -1.243541
H 3.528110 1.663110 -1.356558
H 1.788785 1.647252 -1.748904
H 2.371625 2.552052 -0.314533
H -2.875380 0.782757 -1.106076
H -2.754464 -0.971830 -0.859169
H -4.259580 0.989027 1.000227
H -4.126558 -0.760354 1.264580
H 3.091375 -2.150429 0.900076
H 2.889761 -3.074561 -0.622519
H 1.460918 -2.433218 0.230693
H 4.215717 0.535262 0.743616
H -5.359103 -1.194705 -0.919011
H -5.487445 0.564363 -1.196074
H -6.342254 -0.187000 0.181880


