%chk=000028142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028142

0 1
 O   -3.050900     -0.1403000      -1.679900    
 C   -1.967400      0.5631000      0.4145000    
 C   -1.147300     -0.7350000      0.7201000    
 C   0.2434000     -0.7744000      5.2600000E-02
 C    1.032000      0.5140000      0.3704000    
 C   -3.274000      3.6499999E-02 -0.2738000    
 C   -1.175100       1.538200     -0.4822000    
 C   -2.046300      -1.917700      0.3226000    
 C   0.2486000       1.797100      9.9999998E-03
 C   -3.461500      -1.354400      0.3372000    
 C    2.437200      0.5038000     -0.3014000    
 C    1.037300      -2.011300      0.5137000    
 C   -2.275800       1.262200       1.762500    
 C   -4.512800      0.9140000     -0.1223000    
 C    3.108900     -0.8573000     -0.2901000    
 C    3.349500       1.555600      0.3687000    
 C    2.475700      -1.973400      0.1042000    
 C    4.534900     -0.8944000     -0.7794000    
 C    4.771300       1.542700     -0.1912000    
 C    5.394600      0.1547000     -8.0899999E-02
 C   -5.722500      0.2762000     -0.7753000    
 H  -0.9927000     -0.8066000       1.806800    
 H   0.1162000     -0.8443000      -1.037500    
 H    1.183500      0.5320000       1.460800    
 H   -1.709300       2.492900     -0.5666000    
 H   -1.090000       1.158100      -1.506400    
 H   -1.947100      -2.750500       1.027100    
 H   -1.791800      -2.307500     -0.6695000    
 H   0.7689000       2.373600     -0.7646000    
 H   0.2217000       2.453100      0.8889000    
 H   -4.118700      -2.002000     -0.2518000    
 H   -3.842100      -1.301700       1.363400    
 H    2.316600      0.7773000      -1.359800    
 H   0.5803000      -2.911800      8.6499996E-02
 H   0.9933000      -2.118100       1.604500    
 H   -2.793300       2.215600       1.610000    
 H   -2.900000      0.6373000       2.410300    
 H   -1.358300       1.480000       2.320200    
 H   -4.336500       1.886700     -0.5972000    
 H   -4.753800       1.097600      0.9297000    
 H    3.395400       1.372800       1.450600    
 H    2.931400       2.560200      0.2381000    
 H    3.006000      -2.922100      0.1113000    
 H   -2.239300     -0.6521000      -1.823600    
 H    4.984700      -1.883200     -0.6300000    
 H    4.537600     -0.7070000      -1.860700    
 H    5.387500       2.267100      0.3532000    
 H    4.755700       1.859100      -1.241300    
 H    5.516400     -0.1100000      0.9771000    
 H    6.396300      0.1649000     -0.5254000    
 H   -5.557800      6.3199997E-02  -1.836000    
 H   -6.017400     -0.6510000     -0.2751000    
 H   -6.577000      0.9589000     -0.7111000    


%chk=000028142-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028142

0 1
O -2.711298 -0.251261 -1.681120
C -1.996921 0.574818 0.600031
C -1.148646 -0.706926 0.995598
C 0.233252 -0.762184 0.294134
C 1.081256 0.501331 0.617584
C -3.181585 -0.009764 -0.284692
C -1.133312 1.608767 -0.171348
C -2.057333 -1.945888 0.686982
C 0.251684 1.822316 0.483292
C -3.468329 -1.379033 0.382962
C 2.380442 0.533058 -0.239190
C 1.046826 -2.020174 0.677280
C -2.548779 1.230361 1.896012
C -4.399399 0.918408 -0.456099
C 3.025883 -0.846090 -0.397359
C 3.421183 1.527677 0.361690
C 2.436204 -1.982224 0.066696
C 4.370260 -0.865905 -1.111329
C 4.740647 1.562191 -0.440881
C 5.374998 0.154764 -0.513384
C -5.522285 0.324121 -1.333480
H -0.951371 -0.670065 2.087796
H 0.073517 -0.795981 -0.807806
H 1.401401 0.393216 1.678091
H -1.669730 2.577734 -0.218739
H -1.012844 1.273306 -1.217229
H -2.068893 -2.677761 1.513355
H -1.669829 -2.493485 -0.197943
H 0.816061 2.560402 -0.120058
H 0.119655 2.287453 1.479324
H -4.063152 -2.036729 -0.274122
H -4.041132 -1.230645 1.317506
H 2.117923 0.910286 -1.255985
H 0.525537 -2.938545 0.340797
H 1.106138 -2.097387 1.786237
H -3.137616 2.139358 1.676941
H -3.188997 0.537053 2.473055
H -1.713220 1.528244 2.556190
H -4.047073 1.865979 -0.909410
H -4.804976 1.167774 0.541566
H 3.639821 1.217074 1.405021
H 2.979470 2.541669 0.413452
H 2.967206 -2.940234 -0.037615
H -2.036763 -0.977255 -1.669680
H 4.797690 -1.886486 -1.095318
H 4.212185 -0.600777 -2.180000
H 5.447135 2.279914 0.019682
H 4.537929 1.926976 -1.469696
H 5.662691 -0.168758 0.507322
H 6.299477 0.174945 -1.122762
H -5.122173 0.030736 -2.317984
H -5.976441 -0.569281 -0.865783
H -6.328175 1.065306 -1.487684


