%chk=000086517.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086517

0 1
 O    1.994500      0.9410000     -1.4600000E-02
 O    1.184300      -1.229200      0.3686000    
 C  -0.3731000      0.5343000     -0.1825000    
 C   0.9155000      0.1701000      0.5296000    
 C   -1.574400     -0.2923000      0.3125000    
 C  -0.6622000       2.025900      4.0000002E-03
 C   -2.873800      1.1100000E-02 -0.4373000    
 C    3.058700      2.0000001E-03 -0.1540000    
 C    2.340700      -1.282400     -0.4662000    
 C   -4.010200     -0.8806000      3.9900001E-02
 H  -0.2450000      0.3475000      -1.257200    
 H   0.8478000      0.3774000       1.604100    
 H   -1.724500     -0.1204000       1.386200    
 H   -1.350700      -1.360000      0.1964000    
 H   -1.490700       2.359700     -0.6276000    
 H   0.1985000       2.641300     -0.2791000    
 H  -0.9094000       2.257600       1.045800    
 H   -2.727100     -0.1343000      -1.513600    
 H   -3.179300       1.050700     -0.2833000    
 H    3.591500     -5.4900002E-02  0.8015000    
 H    3.751900      0.3142000     -0.9388000    
 H    2.004500      -1.312000      -1.508300    
 H    2.933100      -2.175100     -0.2514000    
 H   -3.776700      -1.937000     -0.1267000    
 H   -4.201600     -0.7348000       1.107900    
 H   -4.930100     -0.6468000     -0.5052000    


%chk=000086517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086517

0 1
O 1.994982 0.916577 -0.115973
O 1.148082 -1.284121 0.131573
C -0.445319 0.616950 -0.223576
C 0.863221 0.152392 0.426963
C -1.625140 -0.239785 0.308853
C -0.643883 2.131969 0.022013
C -2.960968 -0.002385 -0.431542
C 3.140231 -0.017140 -0.105415
C 2.484115 -1.351793 -0.506863
C -4.085994 -0.929552 0.078157
H -0.335644 0.437046 -1.312448
H 0.834116 0.245613 1.535628
H -1.767637 -0.032340 1.391369
H -1.350998 -1.309251 0.222311
H -1.532804 2.505215 -0.515500
H 0.233676 2.703100 -0.325215
H -0.788241 2.340542 1.100100
H -2.808137 -0.167896 -1.517818
H -3.279365 1.052315 -0.316320
H 3.586089 -0.072533 0.908484
H 3.877903 0.364525 -0.827732
H 2.372311 -1.435728 -1.604851
H 3.004404 -2.239499 -0.109954
H -3.813834 -1.993409 -0.056149
H -4.274674 -0.766673 1.156306
H -5.034292 -0.751141 -0.461703


