%chk=000139983.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139983

0 1
 O    2.767300       1.062300      6.8000001E-03
 O    2.752500      -1.217100     -4.3000001E-03
 C   0.6619000      8.2000000E-03 -7.9999998E-04
 C  -8.0100000E-02   1.336800     -8.2999999E-03
 C  -0.2774000     -0.5272000       1.081900    
 C  -0.2785000     -0.5401000      -1.076100    
 C   -1.034000      0.8275000       1.074100    
 C   -1.035100      0.8148000      -1.083700    
 C   -1.028300      -1.363500      8.2999999E-03
 C   -2.134500      0.6177000     -3.1000001E-03
 C   -2.472600     -0.8705000      5.7999999E-03
 C    2.158900     -0.1489000     -6.0000003E-04
 H   0.3545000       2.328900     -1.4500000E-02
 H   0.1058000     -0.9615000       2.000700    
 H   0.1038000     -0.9853000      -1.990200    
 H   -1.199400       1.394200       1.985500    
 H   -1.201300       1.370700      -2.001600    
 H  -0.8365000      -2.438000      1.4700000E-02
 H   -2.948900       1.344500     -6.8999999E-03
 H   -3.019000      -1.170400      0.9047000    
 H   -3.019500      -1.181000     -0.8891000    
 H    3.744800      0.9813000      7.8999996E-03


%chk=000139983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139983

0 1
O 2.930567 1.060709 0.008234
O 2.765192 -1.257904 -0.006894
C 0.732624 0.093331 -0.001563
C -0.072230 1.444503 -0.008870
C -0.268077 -0.508763 1.093735
C -0.268642 -0.522197 -1.087822
C -1.066870 0.865203 1.087471
C -1.067424 0.851842 -1.097628
C -1.015945 -1.373434 0.008457
C -2.184544 0.617846 -0.003301
C -2.484693 -0.897832 0.006040
C 2.192899 -0.139078 -0.000411
H 0.371014 2.445619 -0.014870
H 0.073703 -0.946469 2.040334
H 0.072176 -0.971704 -2.029197
H -1.296965 1.351551 2.044595
H -1.298046 1.326683 -2.060398
H -0.816553 -2.454297 0.015061
H -3.035914 1.314430 -0.007337
H -3.039182 -1.219166 0.908214
H -3.039655 -1.230159 -0.891846
H 3.900966 0.832688 0.009195


