%chk=000076334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076334

0 1
 O    3.347900     -3.7000000E-03  0.2624000    
 C    2.193600     -0.2540000     -0.5405000    
 C    1.279100      -1.241000      0.2073000    
 C    1.556200       1.101600     -0.8984000    
 C  -2.8200001E-02  -1.556300     -0.5236000    
 C    1.052600       1.913700      0.3061000    
 C   -1.081800      -2.145800      0.4176000    
 C  -0.1723000       2.788400     -2.6000000E-03
 C   -2.500500      -2.120800     -0.1577000    
 C   -1.470000       2.026000     -0.3226000    
 C   -3.071200     -0.7595000     -0.5931000    
 C   -1.962500       1.140800      0.8287000    
 C   -3.211000      0.3101000      0.5005000    
 C    4.068000      -1.199500      0.5158000    
 H    2.519100     -0.7130000      -1.483800    
 H    1.079900     -0.8621000       1.216500    
 H    1.784300      -2.201200      0.3632000    
 H   0.7673000      0.9502000      -1.639300    
 H    2.314900       1.713500      -1.405400    
 H   0.1657000      -2.252400      -1.348500    
 H  -0.4227000     -0.6512000     -0.9777000    
 H    1.867500       2.572100      0.6346000    
 H   0.8352000       1.278200       1.166700    
 H   -1.081900      -1.628700       1.382400    
 H  -0.8106000      -3.185300      0.6412000    
 H   6.4400002E-02   3.447900     -0.8465000    
 H  -0.3558000       3.441800      0.8595000    
 H   -3.177700      -2.560000      0.5860000    
 H   -2.531600      -2.790700      -1.026700    
 H   -1.331600       1.442000      -1.235100    
 H   -2.250200       2.762400     -0.5534000    
 H   -4.084700     -0.9630000     -0.9664000    
 H   -2.527500     -0.3733000      -1.459400    
 H   -2.204100       1.791500       1.679200    
 H   -1.167800      0.4837000       1.177000    
 H   -4.000400       1.007500      0.1910000    
 H   -3.570800     -0.1656000       1.421100    
 H    4.145300      -1.835600     -0.3720000    
 H    3.634100      -1.747100       1.357100    
 H    5.083000     -0.9168000      0.8119000    


%chk=000076334-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076334

0 1
O 3.420533 -0.009730 0.274467
C 2.204475 -0.317357 -0.515359
C 1.270607 -1.292522 0.249695
C 1.576981 1.054628 -0.854026
C -0.070398 -1.581493 -0.470232
C 1.050031 1.868806 0.359264
C -1.161691 -2.151530 0.467610
C -0.155367 2.791278 0.029004
C -2.589803 -2.133160 -0.140539
C -1.474526 2.052064 -0.330604
C -3.136307 -0.761056 -0.632046
C -2.045874 1.181103 0.815867
C -3.308214 0.354641 0.439187
C 4.347120 -1.130590 0.410896
H 2.521804 -0.801260 -1.471360
H 1.064617 -0.860988 1.248587
H 1.805203 -2.245731 0.431897
H 0.761696 0.883951 -1.582600
H 2.346889 1.642949 -1.388430
H 0.089355 -2.273705 -1.322468
H -0.449625 -0.642073 -0.905682
H 1.878170 2.479811 0.763588
H 0.763755 1.187901 1.181016
H -1.158820 -1.574801 1.414040
H -0.907614 -3.194170 0.749422
H 0.119304 3.460751 -0.812529
H -0.346130 3.450294 0.901448
H -3.295595 -2.541866 0.612242
H -2.617785 -2.834648 -1.001195
H -1.312683 1.427945 -1.232582
H -2.237143 2.803895 -0.622019
H -4.133350 -0.959679 -1.075842
H -2.516331 -0.383898 -1.468937
H -2.307471 1.849732 1.662731
H -1.259561 0.505176 1.195761
H -4.081188 1.064987 0.077556
H -3.723337 -0.104791 1.360741
H 4.586686 -1.581797 -0.577099
H 3.957908 -1.925794 1.079853
H 5.266879 -0.712472 0.851778


