%chk=000042748.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042748

0 1
 O    2.231100       1.033400       1.228600    
 C  -0.7109000      -1.780100      0.1687000    
 C  -0.9097000     -0.3066000      2.6799999E-02
 C   0.1639000      0.5765000      0.1423000    
 C    1.545400      7.5900003E-02  0.4098000    
 C    2.394900     -0.1671000     -0.8544000    
 C   -1.070600      -2.547100      -1.117000    
 C   -1.487800      -2.364700       1.362500    
 C   -2.191400      0.1826000     -0.2250000    
 C  -4.4300001E-02   1.949000      6.0999999E-03
 C   -2.399700       1.555200     -0.3612000    
 C   -1.326000       2.438300     -0.2455000    
 C    3.805000     -0.6452000     -0.5417000    
 H   0.3293000      -2.053400      0.3421000    
 H    1.549300     -0.8100000       1.046000    
 H    1.899200     -0.9073000      -1.493600    
 H    2.470100      0.7583000      -1.439600    
 H   -2.136300      -2.469100      -1.357700    
 H  -0.8333000      -3.611300      -1.010000    
 H  -0.5041000      -2.161400      -1.972100    
 H   -1.214600      -1.852400       2.291700    
 H   -1.258500      -3.428800       1.486500    
 H   -2.571400      -2.273200       1.233300    
 H   -3.043500     -0.4846000     -0.3196000    
 H   0.7723000       2.662100      7.4500002E-02
 H   -3.397400       1.936500     -0.5583000    
 H   -1.488000       3.506600     -0.3553000    
 H    4.373100      0.1056000      1.5799999E-02
 H    4.346700     -0.8506000      -1.470600    
 H    3.782200      -1.567600      4.7200002E-02
 H    2.742800       1.630700      0.6573000    


%chk=000042748-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042748

0 1
O 2.447044 1.311163 1.098897
C -0.631440 -1.801002 0.136206
C -0.854276 -0.284588 0.012514
C 0.186863 0.674831 0.210530
C 1.639093 0.243415 0.476387
C 2.338441 -0.267532 -0.813476
C -0.974782 -2.545684 -1.182574
C -1.440408 -2.388491 1.325425
C -2.161558 0.185429 -0.279902
C -0.123145 2.056035 0.133644
C -2.454782 1.561186 -0.378392
C -1.427121 2.505657 -0.163166
C 3.724429 -0.887354 -0.540314
H 0.436288 -1.994299 0.348244
H 1.663326 -0.551028 1.244082
H 1.685410 -1.005634 -1.315817
H 2.425433 0.587342 -1.517515
H -2.045078 -2.436046 -1.436325
H -0.760990 -3.626379 -1.084342
H -0.388479 -2.151794 -2.033047
H -1.182896 -1.881376 2.272727
H -1.231585 -3.468611 1.440693
H -2.527746 -2.269223 1.165378
H -2.968808 -0.541460 -0.430725
H 0.658968 2.792957 0.345194
H -3.473708 1.892348 -0.608550
H -1.639683 3.579383 -0.215131
H 4.368763 -0.181768 0.013012
H 4.233074 -1.159049 -1.483058
H 3.632722 -1.804412 0.071610
H 2.664429 1.986184 0.405390


