%chk=000086391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086391

0 1
 O    1.114000       1.663800      0.4427000    
 O   0.1485000      0.7762000     -0.1947000    
 O   -1.256400       1.771600       1.346100    
 C   -4.624000     -0.5476000     -0.1889000    
 C   -3.472000      0.2844000      0.4341000    
 C   -5.934300     -0.1654000      0.5271000    
 C   -4.386900      -2.055000      9.9999997E-05
 C   -4.781300     -0.2438000      -1.687900    
 C   -2.090400      8.3600000E-02 -0.1968000    
 C    2.344000       1.424200     -0.2265000    
 C   -1.050100      0.9859000      0.4315000    
 C    2.729900     -4.2599998E-02 -5.5599999E-02
 C    2.120500       1.837900      -1.688600    
 C    3.413200       2.314800      0.4175000    
 C    3.431300     -0.6652000      -1.065100    
 C    2.364300     -0.6936000       1.102500    
 C    3.784300      -2.005400     -0.9090000    
 C    2.717600      -2.034000       1.258500    
 C    3.427600      -2.689900      0.2528000    
 H   -3.404600      6.0600001E-02   1.507700    
 H   -3.731100       1.350500      0.3696000    
 H   -6.156900      0.9005000      0.4037000    
 H   -6.784800     -0.7302000      0.1289000    
 H   -5.872500     -0.3719000       1.601600    
 H   -5.242900      -2.637000     -0.3602000    
 H   -3.506000      -2.398300     -0.5523000    
 H   -4.238400      -2.301700       1.057200    
 H   -3.922900     -0.5978000      -2.267900    
 H   -5.670200     -0.7373000      -2.097800    
 H   -4.888900      0.8323000      -1.863900    
 H   -1.759400     -0.9511000     -6.3100003E-02
 H   -2.121000      0.3201000      -1.264900    
 H    1.631400       2.818600      -1.739400    
 H    3.062000       1.918300      -2.243200    
 H    1.473100       1.139600      -2.232000    
 H    3.133100       3.372000      0.3428000    
 H    4.393200       2.182100     -5.3599998E-02
 H    3.517100       2.099600       1.487700    
 H    3.740600     -0.1601000      -1.972900    
 H    1.827900     -0.1998000       1.906600    
 H    4.340900      -2.515400      -1.689900    
 H    2.443700      -2.566000       2.165000    
 H    3.704200      -3.733000      0.3752000    


%chk=000086391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086391

0 1
O 1.257487 2.199118 -0.267915
O 0.019222 1.482847 -0.840787
O -0.920211 1.734476 1.315965
C -4.337979 -0.732207 -0.216939
C -3.009289 -0.159173 0.367452
C -4.972472 -1.635911 0.876016
C -4.064746 -1.588680 -1.482264
C -5.333338 0.407707 -0.562043
C -2.227813 0.787366 -0.574247
C 2.465515 1.395937 -0.668825
C -1.010360 1.380871 0.129185
C 2.446504 0.022029 0.019680
C 2.564429 1.348700 -2.204360
C 3.571989 2.296702 -0.057668
C 2.989808 -1.130666 -0.600270
C 1.925608 -0.091990 1.335690
C 3.017728 -2.370176 0.079702
C 1.948660 -1.329686 2.012670
C 2.498998 -2.474756 1.389741
H -2.350841 -1.006104 0.647651
H -3.229849 0.389007 1.303765
H -5.192568 -1.056159 1.792350
H -5.920273 -2.079938 0.517801
H -4.292238 -2.463667 1.152832
H -5.000760 -2.054189 -1.844134
H -3.655054 -0.981772 -2.310971
H -3.344789 -2.400558 -1.264536
H -4.972724 1.036957 -1.396948
H -6.309673 -0.013358 -0.867202
H -5.505075 1.063633 0.312349
H -1.905716 0.277707 -1.498026
H -2.865926 1.640506 -0.878188
H 2.454813 2.370484 -2.605173
H 3.545646 0.957143 -2.525818
H 1.770567 0.716308 -2.634378
H 3.555770 3.299540 -0.518072
H 4.555478 1.830821 -0.242854
H 3.435385 2.398398 1.031679
H 3.392135 -1.073042 -1.617112
H 1.476418 0.787117 1.811521
H 3.442547 -3.251523 -0.414388
H 1.534494 -1.400103 3.024728
H 2.519894 -3.435215 1.917041


