%chk=000012548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012548

0 1
 O  -0.1002000       2.486700     -2.3000001E-03
 O  -0.3721000      -2.850400     -1.7000000E-03
 O   -2.651000       2.704200       0.000000    
 O    2.449000       2.444300      6.0000003E-04
 O    4.707000      0.9393000      7.9999998E-04
 O    4.553900      -1.818700      8.9999998E-04
 C   -1.542700     -0.8135000      9.9999997E-05
 C   -1.471000      0.5811000     -1.9999999E-04
 C    1.071800      0.4505000     -1.9999999E-04
 C    1.000000     -0.9442000     -5.0000002E-04
 C  -0.1612000       1.264000     -6.9999998E-04
 C  -0.3097000      -1.627100     -6.0000003E-04
 C   -2.790500      -1.448500      7.9999998E-04
 C   -2.647100       1.340700      1.9999999E-04
 C    2.319400       1.085500      3.9999999E-04
 C   -3.960000     -0.6877000      1.4000000E-03
 C    2.176100      -1.703700     -3.9999999E-04
 C   -3.888500      0.7039000      1.0000000E-03
 C    3.488900      0.3248000      5.0000002E-04
 C    3.417400      -1.066800       0.000000    
 C   -5.289300      -1.364300     -9.9999997E-05
 H   -2.860000      -2.533600     -1.5000000E-03
 H    2.140300      -2.790300     -3.9999999E-04
 H   -4.805200       1.289500     -8.9999998E-04
 H   -5.624100      -1.532000      -1.028600    
 H   -5.242300      -2.329600      0.5155000    
 H   -6.041000     -0.7608000      0.5200000    
 H   -3.567400       3.029300      6.0000003E-04
 H    1.582700       2.876800      6.0999999E-03
 H    4.564900       1.901900      1.1000000E-03
 H    5.318700      -1.217200      1.4000000E-03


%chk=000012548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012548

0 1
O 0.010286 2.604544 -0.000588
O -0.417961 -2.914478 0.011036
O -2.666700 2.777398 0.014923
O 2.495194 2.470226 -0.007236
O 4.776480 0.920030 -0.010614
O 4.609954 -1.846183 -0.004321
C -1.547284 -0.775847 0.008461
C -1.465308 0.658777 0.007025
C 1.056931 0.464281 0.001029
C 1.003629 -0.965750 0.004060
C -0.140946 1.309906 0.003138
C -0.314965 -1.645243 0.008982
C -2.792090 -1.434900 0.013183
C -2.696611 1.386271 0.011610
C 2.333733 1.102450 -0.003958
C -4.007954 -0.707621 0.012727
C 2.187276 -1.731759 0.002237
C -3.939423 0.701860 0.016991
C 3.514063 0.324315 -0.005767
C 3.445031 -1.087682 -0.002617
C -5.344043 -1.422860 -0.013979
H -2.788305 -2.529590 0.016978
H 2.127933 -2.823015 0.004598
H -4.870566 1.285869 0.023954
H -5.647467 -1.644591 -1.055547
H -5.292486 -2.386062 0.521900
H -6.145082 -0.815209 0.441664
H -3.589334 3.142222 0.018393
H 1.504858 2.853112 -0.005054
H 4.666580 1.908663 -0.012195
H 5.401375 -1.245035 -0.007714


