%chk=000113028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113028

0 1
 O   0.4381000       1.412200       1.334600    
 O   0.7256000      -2.033700      0.4102000    
 O    2.435400       1.407000     -0.6618000    
 O   -3.556400      0.4882000      0.1404000    
 O    1.837100     -0.7452000       1.963300    
 O    2.200700     -0.4356000      -2.032400    
 O   -2.058500       2.213600      0.4641000    
 C   5.6200001E-02  0.2379000      0.6174000    
 C   0.2799000      0.4800000     -0.8840000    
 C   -1.411200     -6.7100003E-02  0.9519000    
 C   0.9858000     -0.8790000       1.092500    
 C    1.134200      -4.376000     -7.0500001E-02
 C    1.533200      -3.159100      0.7687000    
 C    1.737300      0.4122000      -1.280400    
 C   -2.353100       1.025500      0.4909000    
 C    4.493800       2.597300     -0.1816000    
 C   -5.839500      0.6875000     -0.6545000    
 C    3.839300       1.437300     -0.9368000    
 C   -4.546600       1.424700     -0.2950000    
 C  -0.3334000      -4.748500      0.1505000    
 C    1.397300      -4.111300      -1.551400    
 C    5.979600       2.685100     -0.5238000    
 C    4.303700       2.456100       1.330100    
 C   -6.880800       1.668100      -1.189900    
 C   -6.397800     -7.7200003E-02  0.5474000    
 H  -0.2475000     -0.2780000      -1.477100    
 H  -9.5299996E-02   1.459500      -1.202800    
 H   -1.709800      -1.012400      0.4828000    
 H   -1.546700     -0.1722000       2.035000    
 H    1.755500      -5.224000      0.2429000    
 H    1.389300      -3.380300       1.833200    
 H    2.589300      -2.916400      0.5995000    
 H    4.006400       3.532000     -0.4870000    
 H   -5.614200     -4.9600001E-02  -1.435700    
 H    4.286700      0.4834000     -0.6310000    
 H    3.986300       1.567700      -2.015900    
 H   -4.732900       2.151200      0.5057000    
 H   -4.167100       1.957900      -1.175200    
 H    1.326800       1.672200       1.042500    
 H  -0.5873000      -5.658100     -0.4042000    
 H  -0.5294000      -4.938200       1.211100    
 H   -1.009000      -3.953600     -0.1833000    
 H    2.447100      -3.849300      -1.720200    
 H    1.177400      -5.003800      -2.147000    
 H   0.7776000      -3.293600      -1.934800    
 H    6.123000       2.822500      -1.600800    
 H    6.447100       3.534100     -1.4200000E-02
 H    6.511400       1.775500     -0.2241000    
 H    4.815500       3.265700       1.861700    
 H    3.246900       2.504400       1.605500    
 H    4.707700       1.505200       1.694000    
 H   -6.502900       2.192000      -2.074100    
 H   -7.797100       1.143000      -1.479600    
 H   -7.144400       2.419200     -0.4374000    
 H   -7.324500     -0.5961000      0.2799000    
 H   -5.688000     -0.8319000      0.9015000    
 H   -6.617500      0.5992000       1.380500    


%chk=000113028-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113028

0 1
O -0.100643 0.955834 0.418285
O 0.736102 -2.587121 0.010023
O 2.246284 1.529444 -0.815255
O -3.515097 0.300153 -0.306008
O 1.737538 -0.971926 1.355309
O 3.052811 0.026139 -2.404488
O -2.209224 0.733680 -2.179177
C 0.023492 -0.286265 -0.321945
C 0.678480 -0.070591 -1.731299
C -1.418029 -0.845564 -0.435450
C 0.918250 -1.286725 0.466003
C 1.284667 -4.978991 -0.047006
C 1.610849 -3.638628 0.626129
C 2.106429 0.451785 -1.709715
C -2.374892 0.145270 -1.082204
C 3.665252 2.929086 0.626343
C -5.627812 1.390929 0.258096
C 3.599491 2.163610 -0.703168
C -4.556935 1.237499 -0.829981
C -0.176237 -5.412847 0.218906
C 1.607190 -4.951963 -1.559773
C 4.924747 3.830584 0.619725
C 3.665458 1.970307 1.839400
C -6.812982 2.208858 -0.310396
C -5.046840 2.045687 1.531476
H 0.686102 -1.018121 -2.293938
H 0.032570 0.644653 -2.275693
H -1.405280 -1.778491 -1.025560
H -1.789360 -1.083451 0.573924
H 1.959185 -5.717220 0.438037
H 1.405204 -3.655452 1.712288
H 2.662503 -3.336810 0.467883
H 2.770626 3.582820 0.682671
H -5.990867 0.375666 0.516275
H 4.362682 1.366478 -0.763911
H 3.712187 2.834603 -1.574684
H -4.069670 2.200354 -1.072678
H -4.967631 0.807290 -1.762556
H 0.761371 1.451789 0.319857
H -0.374143 -6.405414 -0.224637
H -0.389927 -5.474981 1.302419
H -0.883342 -4.691118 -0.227735
H 2.660886 -4.671557 -1.744253
H 1.433670 -5.944792 -2.012502
H 0.965342 -4.220136 -2.081857
H 4.899974 4.567097 -0.205139
H 5.001982 4.386855 1.570834
H 5.844544 3.224083 0.511952
H 3.616713 2.542224 2.784014
H 2.816026 1.265981 1.817083
H 4.595748 1.369758 1.856159
H -7.264526 1.720313 -1.194317
H -7.603087 2.324634 0.453134
H -6.486200 3.223328 -0.609739
H -5.811553 2.100234 2.327700
H -4.185683 1.471499 1.913808
H -4.704097 3.076838 1.318630


