%chk=000158914.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158914

0 1
 O    2.627600      -2.254400      0.1443000    
 O    3.650900       1.649800      0.9682000    
 O    1.499100       2.374400      8.1299998E-02
 O   -4.396300     -0.2594000     -0.3414000    
 O   -1.010700       2.980100     -9.3599997E-02
 O   -2.403400      -2.178100     -0.2112000    
 C    2.061400      7.4800000E-02  0.1137000    
 C  -0.2630000      0.7246000     -4.8900001E-02
 C  -0.6372000     -0.6208000     -8.0100000E-02
 C    3.508400      0.4402000      0.2174000    
 C    1.089000       1.072900      4.8000000E-02
 C    1.688800      -1.268100      8.2500003E-02
 C   0.3419000      -1.618900     -1.4200000E-02
 C   -1.284500       1.786400     -0.1177000    
 C   -2.059900      -1.002200     -0.1822000    
 C    4.166400      0.6294000      -1.150900    
 C   -3.063900      8.7899998E-02 -0.2475000    
 C   -2.698800       1.371700     -0.2172000    
 C    2.156500      -3.599600      0.1062000    
 C   -4.972200     -0.3906000      0.9435000    
 H    4.054600     -0.3242000      0.7817000    
 H   2.7999999E-03  -2.648200     -4.1999999E-02
 H    5.220500      0.9029000      -1.033100    
 H    4.109400     -0.2848000      -1.750500    
 H    3.693200       1.439300      -1.717200    
 H   -3.439900       2.163300     -0.2671000    
 H    4.601700       1.842700       1.036300    
 H    2.438500       2.458600     -0.1401000    
 H    3.036100      -4.249200      0.1657000    
 H    1.659900      -3.828300     -0.8429000    
 H    1.531900      -3.834900      0.9748000    
 H   -4.468600      -1.166200       1.531200    
 H   -4.956600      0.5611000       1.486200    
 H   -6.017600     -0.6890000      0.8194000    


%chk=000158914-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158914

0 1
O 2.603953 -2.155271 0.246369
O 3.958923 1.698124 0.657736
O 1.660852 2.559936 0.021509
O -4.478938 0.246246 0.154481
O -0.944872 3.356665 -0.132465
O -2.490112 -1.912856 0.231838
C 2.124511 0.176981 0.148442
C -0.217941 1.025189 0.080246
C -0.665542 -0.326810 0.166918
C 3.632063 0.372734 0.046098
C 1.196424 1.266742 0.086069
C 1.625898 -1.148152 0.221465
C 0.240656 -1.405533 0.242503
C -1.231494 2.119047 -0.009399
C -2.121108 -0.692844 0.185487
C 4.125379 0.314453 -1.415790
C -3.106076 0.432003 0.143520
C -2.654162 1.729063 0.048226
C 2.148829 -3.545559 0.379626
C -5.123775 -1.059414 0.423457
H 4.133355 -0.412481 0.638867
H -0.174560 -2.414418 0.304797
H 5.223573 0.444968 -1.470805
H 3.883003 -0.671951 -1.846768
H 3.640036 1.095367 -2.026748
H -3.375376 2.550954 -0.002003
H 4.915791 1.905766 0.531049
H 2.655758 2.546329 0.246646
H 3.069565 -4.146151 0.405811
H 1.528281 -3.845191 -0.485412
H 1.578075 -3.688802 1.315916
H -4.910993 -1.780796 -0.380210
H -4.788105 -1.479657 1.385649
H -6.195868 -0.811482 0.459475


