%chk=000006607.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006607

0 1
 O    4.765100      3.5000001E-03   1.269600    
 O   -5.754100       1.337200      -1.143900    
 C    1.507400     -0.8219000     -0.1892000    
 C    2.317100     -8.4299996E-02  0.8994000    
 C   3.0099999E-02  -1.006200      0.1830000    
 C  -0.6157000      0.3926000      0.4095000    
 C   -2.154200      0.3097000      0.7501000    
 C    1.707700       1.318000       1.074600    
 C   0.2062000       1.252000       1.410100    
 C    3.749600     -0.1622000      0.2894000    
 C    2.349000      -2.062600     -0.4803000    
 C  -0.7295000      -1.765300     -0.9120000    
 C    3.808000      -1.604400     -0.2771000    
 C   -2.209300      -1.944400     -0.5484000    
 C   -2.870200     -0.5892000     -0.2820000    
 C    2.303600     -0.8039000       2.280400    
 C   -2.729100       1.757300      0.7054000    
 C   -2.403600     -0.2754000       2.159700    
 C   -4.245000       1.809800      0.6497000    
 C   -4.017000     -0.2251000     -0.8861000    
 C   -2.876100      -2.831100      -1.611000    
 C    3.990200      0.8105000     -0.7947000    
 C   -4.738600       1.019000     -0.5283000    
 C    4.185400       1.601600      -1.676800    
 C    4.423100       2.564600      -2.751000    
 H    1.520100     -0.2188000      -1.111200    
 H  -3.6400001E-02  -1.599000       1.101600    
 H  -0.5411000      0.9170000     -0.5573000    
 H    1.810500       1.908100      0.1565000    
 H    2.236800       1.872000       1.859300    
 H   8.1400000E-02  0.8743000       2.429500    
 H  -0.1713000       2.280500       1.417800    
 H    2.189800      -2.430600      -1.499200    
 H    2.109300      -2.881200      0.2076000    
 H  -0.2724000      -2.752600      -1.052900    
 H  -0.6390000      -1.235900      -1.870100    
 H    4.314400      -2.288600      0.4149000    
 H    4.359900      -1.658000      -1.223400    
 H   -2.260000      -2.514300      0.3895000    
 H    2.866600     -0.2233000       3.020700    
 H    1.297000     -0.9365000       2.684200    
 H    2.757700      -1.798900       2.239200    
 H   -2.338500       2.278900     -0.1798000    
 H   -2.397100       2.334200       1.576800    
 H   -2.070500      0.4103000       2.945900    
 H   -3.469400     -0.4650000       2.332900    
 H   -1.883200      -1.225200       2.315100    
 H   -4.565500       2.850800      0.5305000    
 H   -4.704000       1.413900       1.560800    
 H   -4.513300     -0.8446000      -1.623700    
 H   -3.909900      -3.068500      -1.338000    
 H   -2.875500      -2.351100      -2.595800    
 H   -2.343800      -3.784300      -1.706700    
 H    5.618700     -0.2263000      0.8638000    
 H    3.556200       3.218400      -2.885800    
 H    5.290200       3.192700      -2.526000    
 H    4.612000       2.051600      -3.698800    


%chk=000006607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006607

0 1
O 4.779418 0.095445 1.339472
O -5.823083 1.377283 -1.217459
C 1.514270 -0.861415 -0.163740
C 2.329760 -0.105703 0.928471
C 0.029100 -1.048961 0.208789
C -0.607918 0.358129 0.436290
C -2.158746 0.306114 0.761702
C 1.714486 1.297802 1.118180
C 0.203077 1.201323 1.463483
C 3.766767 -0.157411 0.281085
C 2.375208 -2.112523 -0.488348
C -0.738715 -1.807036 -0.891695
C 3.850784 -1.635985 -0.267627
C -2.249491 -1.951409 -0.558665
C -2.869035 -0.580202 -0.286763
C 2.379959 -0.859503 2.284131
C -2.715863 1.764485 0.696755
C -2.434129 -0.293256 2.178489
C -4.251861 1.850493 0.603422
C -4.025111 -0.182934 -0.912872
C -2.970565 -2.801079 -1.625001
C 3.956544 0.819721 -0.812518
C -4.773754 1.045721 -0.582934
C 4.179819 1.614476 -1.731682
C 4.432430 2.572039 -2.819110
H 1.529345 -0.212239 -1.068487
H -0.036400 -1.641335 1.146355
H -0.528671 0.881805 -0.545605
H 1.841593 1.877697 0.182655
H 2.245848 1.849859 1.917309
H 0.086610 0.770778 2.476228
H -0.206852 2.227320 1.511974
H 2.206480 -2.469123 -1.519474
H 2.122759 -2.947597 0.192951
H -0.307461 -2.817499 -1.030320
H -0.627790 -1.272143 -1.858807
H 4.361558 -2.246755 0.498209
H 4.445896 -1.687256 -1.195545
H -2.302319 -2.511814 0.402765
H 3.052874 -0.327420 2.976348
H 1.380387 -0.921304 2.747080
H 2.764381 -1.888579 2.178958
H -2.281999 2.265794 -0.192476
H -2.372314 2.328822 1.582954
H -2.032885 0.367329 2.967129
H -3.519570 -0.404672 2.352637
H -1.974678 -1.288956 2.307473
H -4.596148 2.895309 0.506328
H -4.722761 1.444736 1.522399
H -4.493940 -0.810166 -1.678507
H -4.022868 -3.002366 -1.355696
H -2.957512 -2.304639 -2.613205
H -2.459300 -3.775125 -1.732476
H 5.638957 0.309848 0.895394
H 3.548251 3.210419 -3.001365
H 5.279031 3.238969 -2.571846
H 4.675944 2.054489 -3.765190


