%chk=000105384.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105384

0 1
 O    2.174500      0.3313000      2.8100001E-02
 O   0.8195000       2.180600     -0.2263000    
 C   -6.615800     -0.3915000      9.9999997E-05
 C   -5.167300     -0.8964000      0.2444000    
 C   -4.055400      0.1352000      1.1300000E-02
 C   -2.648100     -0.4390000      0.2194000    
 C   -6.979700      0.7494000      0.9650000    
 C   -7.635800      -1.531300      0.1551000    
 C   -6.698700      0.1467000      -1.442200    
 C   -1.533200      0.5934000      1.8300001E-02
 C  -0.1398000     -2.1600001E-02  0.1579000    
 C   0.9754000      0.9833000     -2.8800000E-02
 C    3.331700       1.151300     -0.1644000    
 C    4.560000      0.2942000     -7.3700003E-02
 C    5.177100      0.1038000       1.157600    
 C    5.069700     -0.3023000      -1.221700    
 C    6.318800     -0.6931000       1.242100    
 C    6.211400      -1.099300      -1.137000    
 C    6.835900      -1.294700      9.4899997E-02
 H   -5.090800      -1.269700       1.274200    
 H   -4.978500      -1.761400     -0.4058000    
 H   -4.104200      0.5263000      -1.009900    
 H   -4.187700      0.9843000      0.6906000    
 H   -2.573800     -0.8543000       1.232000    
 H   -2.497700      -1.272900     -0.4775000    
 H   -6.350300       1.632500      0.8157000    
 H   -6.869800      0.4295000       2.007000    
 H   -8.019100       1.067400      0.8232000    
 H   -8.657800      -1.184000     -3.3300001E-02
 H   -7.605100      -1.946600       1.168500    
 H   -7.425500      -2.346800     -0.5460000    
 H   -7.736300      0.3813000      -1.708900    
 H   -6.334900     -0.5920000      -2.165200    
 H   -6.127900       1.071000      -1.577500    
 H   -1.652900       1.405500      0.7462000    
 H   -1.631000       1.048400     -0.9753000    
 H  -1.5300000E-02 -0.8099000     -0.5935000    
 H  -3.1900000E-02 -0.4632000       1.155000    
 H    3.281100       1.638500      -1.146100    
 H    3.360300       1.937100      0.6010000    
 H    4.781600      0.5658000       2.057900    
 H    4.590000     -0.1586000      -2.185900    
 H    6.804800     -0.8458000       2.201300    
 H    6.613800      -1.568400      -2.030100    
 H    7.724600      -1.915500      0.1608000    


%chk=000105384-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105384

0 1
O 2.145324 0.732551 1.287602
O 1.290302 1.301381 -0.810633
C -6.516640 -0.382486 -0.231283
C -5.114819 -0.817669 0.304367
C -3.914755 0.079006 -0.076686
C -2.581201 -0.442288 0.507255
C -6.901032 1.022002 0.306845
C -7.561900 -1.414969 0.272948
C -6.533289 -0.366392 -1.783229
C -1.374782 0.445786 0.133170
C -0.056052 -0.064827 0.753842
C 1.157039 0.727338 0.296062
C 3.438860 1.434595 0.944527
C 4.436171 0.487304 0.315684
C 5.375661 -0.204611 1.121741
C 4.448035 0.284059 -1.089170
C 6.310182 -1.088672 0.537938
C 5.381190 -0.600389 -1.673609
C 6.314582 -1.288105 -0.862410
H -5.172481 -0.879592 1.412297
H -4.913887 -1.850008 -0.053875
H -3.822749 0.141766 -1.179419
H -4.084043 1.112682 0.285782
H -2.667347 -0.507731 1.612456
H -2.403477 -1.477753 0.147363
H -6.224387 1.807025 -0.077309
H -6.861673 1.047217 1.412839
H -7.929956 1.287899 -0.001735
H -8.577866 -1.156299 -0.080994
H -7.585188 -1.447329 1.379178
H -7.323444 -2.432446 -0.091593
H -7.547786 -0.133880 -2.159268
H -6.237259 -1.350893 -2.193833
H -5.843837 0.394692 -2.191993
H -1.560801 1.484833 0.470434
H -1.261573 0.492047 -0.966301
H 0.111950 -1.120107 0.453372
H -0.093482 -0.058165 1.857440
H 3.194563 2.276413 0.273927
H 3.782002 1.802523 1.924089
H 5.372416 -0.051141 2.208034
H 3.716539 0.812727 -1.710624
H 7.033155 -1.616785 1.169643
H 5.383506 -0.750891 -2.758949
H 7.040128 -1.971916 -1.317424


