%chk=000019872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019872

0 1
 O    3.021700      -1.973700     -0.6393000    
 O    3.072500      -1.216800       1.498400    
 O   -5.984500      0.3912000      0.4556000    
 O   -4.843300      -1.183900     -0.7303000    
 C    1.444800      0.9876000      0.1397000    
 C    2.788300      0.3870000     -0.3192000    
 C   0.2057000      0.1897000     -0.2864000    
 C   -1.112000      0.8427000      0.1480000    
 C    3.982200       1.312600     -2.7400000E-02
 C   -2.348800      9.8999999E-03 -0.2050000    
 C    2.979000     -0.9919000      0.2989000    
 C   -3.640900      0.6467000      0.3002000    
 C    5.294200      0.7601000     -0.5730000    
 C   -4.859200     -0.1612000     -6.0300000E-02
 H    1.357700       2.004400     -0.2640000    
 H    1.444300       1.085100       1.233100    
 H    2.732600      0.2585000      -1.409300    
 H   0.2064000      7.4400000E-02  -1.377100    
 H   0.2558000     -0.8191000      0.1400000    
 H   -1.195600       1.832300     -0.3177000    
 H   -1.087700       1.003600       1.232900    
 H    3.799700       2.296500     -0.4757000    
 H    4.083800       1.464400       1.054000    
 H   -2.246200     -0.9951000      0.2235000    
 H   -2.399100     -0.1191000      -1.293400    
 H   -3.755600       1.645700     -0.1348000    
 H   -3.602300      0.7374000       1.391600    
 H    6.103400       1.476400     -0.3981000    
 H    5.570000     -0.1789000     -8.3700001E-02
 H    5.226800      0.5825000      -1.651000    
 H    3.138000      -2.860000     -0.2352000    
 H   -6.785100     -0.1275000      0.2271000    


%chk=000019872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019872

0 1
O 3.097298 -2.023725 -0.644129
O 3.101303 -1.188599 1.519151
O -6.064611 0.469582 0.441881
O -4.967894 -1.171216 -0.779692
C 1.449337 0.985248 0.111960
C 2.792558 0.373093 -0.378406
C 0.202444 0.161204 -0.277796
C -1.114203 0.811000 0.202388
C 3.990553 1.311027 -0.049997
C -2.361694 -0.010269 -0.189658
C 3.007201 -0.977391 0.288448
C -3.665439 0.638182 0.311840
C 5.346998 0.800790 -0.580318
C -4.908051 -0.134881 -0.083085
H 1.365202 2.005014 -0.314650
H 1.494736 1.096486 1.213553
H 2.746691 0.206302 -1.470665
H 0.171521 0.032562 -1.379296
H 0.278606 -0.857848 0.153212
H -1.194777 1.834531 -0.220969
H -1.078540 0.931061 1.305374
H 3.768256 2.303509 -0.488401
H 4.040938 1.444646 1.047899
H -2.279914 -1.035160 0.220557
H -2.407772 -0.125148 -1.289469
H -3.773030 1.669456 -0.079855
H -3.664334 0.739971 1.414756
H 6.151021 1.526710 -0.362134
H 5.628750 -0.158972 -0.109755
H 5.317348 0.644420 -1.674647
H 3.237863 -2.882540 -0.157592
H -6.861764 -0.057545 0.161597


