%chk=000085698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085698

0 1
 O   -3.346900     -0.6439000     -0.8971000    
 O   -3.242700       1.373300      0.1519000    
 C  -0.5076000     -0.4161000      0.4845000    
 C    1.388800       1.191200     -7.2600000E-02
 C    1.894500      -1.070600      0.9489000    
 C    1.073800     -0.9256000      -1.427100    
 C  -7.1199998E-02   1.067000      0.4242000    
 C   0.4418000      -1.173000       1.441800    
 C  -0.3774000      -1.028300     -0.9293000    
 C    2.308500      0.4092000      0.8935000    
 C    1.489500      0.5540000      -1.477700    
 C    1.997700      -1.679800     -0.4581000    
 C   -1.953300     -0.5237000      0.9773000    
 C    1.807000       2.663400     -0.1271000    
 C   -2.902500      0.2029000      6.6799998E-02
 H    2.555400      -1.612600       1.634800    
 H    1.152600      -1.364800      -2.428000    
 H  -0.1695000       1.527200       1.416600    
 H  -0.7166000       1.639600     -0.2528000    
 H   0.1496000      -2.228900       1.509400    
 H   0.3664000     -0.7601000       2.456000    
 H   -1.011200     -0.5057000      -1.654400    
 H  -0.6932000      -2.079300     -0.9223000    
 H    2.259000      0.8439000       1.900200    
 H    3.354000      0.4871000      0.5684000    
 H    2.516000      0.6350000      -1.858100    
 H   0.8483000       1.093500      -2.186600    
 H    3.034400      -1.629800     -0.8131000    
 H    1.722600      -2.741300     -0.4280000    
 H   -2.270700      -1.570400       1.066200    
 H   -2.062600     -9.3000002E-02   1.980500    
 H    2.840200       2.767900     -0.4761000    
 H    1.165300       3.231900     -0.8091000    
 H    1.739700       3.130200      0.8618000    
 H   -3.968700     -0.2019000      -1.513800    


%chk=000085698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085698

0 1
O -3.774601 -0.876755 -0.617771
O -3.203185 1.329201 -0.193272
C -0.505440 -0.377105 0.433330
C 1.449062 1.214176 -0.062755
C 1.890897 -1.085973 0.952684
C 1.124616 -0.905340 -1.453830
C -0.033152 1.105314 0.403203
C 0.412039 -1.168553 1.413564
C -0.354666 -0.987232 -0.990281
C 2.339030 0.399021 0.920862
C 1.571974 0.580844 -1.479810
C 2.022982 -1.697752 -0.467331
C -1.977042 -0.500471 0.951152
C 1.887573 2.693050 -0.092903
C -3.006925 0.111990 0.027709
H 2.526368 -1.650661 1.663572
H 1.213548 -1.338174 -2.469963
H -0.134662 1.546474 1.417035
H -0.683716 1.698111 -0.267958
H 0.088181 -2.228893 1.455315
H 0.309933 -0.752944 2.437516
H -0.999257 -0.439461 -1.706935
H -0.698868 -2.041196 -0.985591
H 2.269158 0.840693 1.936522
H 3.401095 0.469053 0.608326
H 2.622395 0.654512 -1.828952
H 0.948532 1.153088 -2.197033
H 3.079561 -1.658624 -0.800285
H 1.723798 -2.765271 -0.451594
H -2.224929 -1.565881 1.098196
H -2.047896 0.018395 1.926158
H 2.939845 2.790289 -0.423196
H 1.258085 3.280421 -0.788562
H 1.804177 3.155633 0.909475
H -4.427507 -0.431478 -1.225098


