%chk=000085852.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085852

0 1
 O  -9.9999997E-05   0.000000      -1.298600    
 O    2.796000     -0.2007000     -0.5836000    
 O   -2.795500      0.1998000     -0.5838000    
 C   0.5668000      -1.046300     -0.5031000    
 C  -0.5671000       1.046500     -0.5031000    
 C    1.734500     -0.5015000      0.3308000    
 C   -1.734800      0.5014000      0.3307000    
 C  -0.5433000      -1.734100      0.2959000    
 C   0.5431000       1.734400      0.2956000    
 C    1.403000      0.7706000       1.109400    
 C   -1.402700     -0.7701000       1.109800    
 H   0.9685000      -1.778300      -1.214700    
 H  -0.9691000       1.778100      -1.214900    
 H    2.117400      -1.269700       1.010500    
 H   -2.111700       1.275200       1.008600    
 H  -0.1283000      -2.512100      0.9465000    
 H   -1.206500      -2.240000     -0.4184000    
 H   0.1267000       2.510200      0.9478000    
 H    1.203900       2.245400     -0.4172000    
 H    2.326800       1.285900       1.400800    
 H   0.8922000      0.5200000       2.042400    
 H   -2.322600      -1.287800       1.408700    
 H  -0.8885000     -0.5171000       2.040300    
 H    2.457300      0.4312000      -1.240400    
 H   -3.564400     -8.0399998E-02 -5.8600001E-02


%chk=000085852-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085852

0 1
O 0.045431 0.004247 -1.329993
O 2.839324 -0.148797 -0.652065
O -2.826210 0.250795 -0.657266
C 0.589249 -1.083813 -0.466289
C -0.574417 1.068136 -0.495034
C 1.781403 -0.488577 0.324375
C -1.759837 0.516025 0.329427
C -0.557331 -1.753589 0.318923
C 0.530436 1.761237 0.339028
C 1.400671 0.763533 1.151864
C -1.408681 -0.755534 1.139082
H 1.006676 -1.805333 -1.190849
H -0.994412 1.770021 -1.235696
H 2.240849 -1.257148 0.971068
H -2.095124 1.314955 1.028189
H -0.149769 -2.546512 0.975919
H -1.205799 -2.245375 -0.429369
H 0.086192 2.521200 1.010395
H 1.180535 2.308626 -0.369603
H 2.339565 1.256667 1.461645
H 0.884513 0.456249 2.079859
H -2.346456 -1.247458 1.467747
H -0.882796 -0.463685 2.065816
H 2.382652 0.302449 -1.412030
H -3.605062 -0.137717 -0.183742


