%chk=000128245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128245

0 1
 O   0.4240000       1.457500      -2.828900    
 O   0.5473000      2.8700000E-02  0.5201000    
 O   -2.911200       3.520400       1.122100    
 O  -5.0600000E-02  -3.017000       1.055500    
 O   -1.559100      -4.130100     -0.2263000    
 C   0.2422000      0.4110000      -1.868100    
 C   0.3180000       1.043200     -0.4618000    
 C    1.223300     -0.7372000      -2.178100    
 C   -3.135700       2.979600     -0.1789000    
 C  -0.8545000       1.864000      1.1000000E-02
 C   -4.476900       2.223800     -0.1970000    
 C   -1.969100       2.159900     -0.6771000    
 C    2.679800     -0.4060000      -2.013800    
 C   -4.717200      -1.458200       1.110500    
 C   -3.678900      -2.515100      0.7160000    
 C   -4.505300       1.001200      0.6802000    
 C   -4.688700     -0.2464000      0.2243000    
 C   -2.226000      -2.057600      0.8175000    
 C    3.518800      -1.106500      -1.235900    
 C    4.975900     -0.7866000      -1.074400    
 C    5.311400     -0.4640000      0.3528000    
 C   -1.267100      -3.171500      0.4777000    
 C    5.780000      0.7262000      0.7569000    
 C    6.111900       1.053500       2.182300    
 C    4.907700       1.627300       2.913400    
 H  -0.7623000     -2.4999999E-03  -2.022500    
 H    1.193100       1.706000     -0.4364000    
 H   0.9586000      -1.605700      -1.562400    
 H    1.083300      -1.042500      -3.223200    
 H   -3.226200       3.840300     -0.8535000    
 H  -0.7565000       2.250800       1.023700    
 H   -5.271800       2.893800      0.1543000    
 H   -4.725000       1.954500      -1.231700    
 H   -2.081700       1.795800      -1.694700    
 H    3.057200      0.4454000      -2.574500    
 H   -5.716300      -1.905600       1.044800    
 H   -4.566400      -1.179600       2.160600    
 H   -3.823200      -3.394800       1.356800    
 H   -3.884000      -2.852900     -0.3087000    
 H   -4.369600       1.163700       1.746800    
 H   -4.834400     -0.4118000     -0.8402000    
 H   0.3007000       1.069700      -3.712000    
 H   0.7368000      0.4672000       1.367300    
 H   -2.027100      -1.229400      0.1309000    
 H   -2.024200      -1.722600       1.841100    
 H    3.140900      -1.967000     -0.6880000    
 H    5.562600      -1.660200      -1.382400    
 H    5.270700      3.4600001E-02  -1.739300    
 H   -3.668800       4.089800       1.339700    
 H    5.172600      -1.256000       1.085400    
 H    5.913900       1.523600      3.0200001E-02
 H    6.939900       1.771100       2.201600    
 H    6.462400      0.1570000       2.707700    
 H    5.175800       1.874500       3.945600    
 H    4.549500       2.542000       2.429000    
 H    4.080200      0.9102000       2.942300    
 H   0.5578000      -3.753300      0.8319000    


%chk=000128245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128245

0 1
O 0.475792 1.322697 -3.141593
O 1.119522 0.173582 0.307549
O -2.490396 3.286748 1.140289
O -0.647650 -1.253963 1.522793
O -1.467643 -1.899870 -0.552956
C 0.342741 0.292106 -2.082674
C 0.633976 1.078880 -0.775312
C 1.306010 -0.896741 -2.337851
C -2.842420 2.885232 -0.231981
C -0.531600 1.837542 -0.185130
C -4.189603 2.096186 -0.271625
C -1.696681 2.099103 -0.819992
C 2.769023 -0.553677 -2.146406
C -4.815558 -1.560713 1.129401
C -3.937017 -2.820169 0.877772
C -4.273777 0.889100 0.639516
C -4.552908 -0.373691 0.223278
C -2.526978 -2.748146 1.505995
C 3.623707 -1.255256 -1.351369
C 5.066507 -0.871992 -1.060767
C 5.249595 -0.597082 0.426730
C -1.523316 -1.922138 0.710318
C 5.475038 0.629183 0.966916
C 5.578431 0.925529 2.448650
C 4.461319 1.890604 2.928015
H -0.684797 -0.116988 -2.051721
H 1.459855 1.786680 -1.002031
H 1.005349 -1.733339 -1.681693
H 1.126771 -1.239372 -3.379489
H -2.988079 3.800461 -0.855473
H -0.384763 2.206665 0.836426
H -4.996378 2.812568 0.002759
H -4.384977 1.793441 -1.319385
H -1.861120 1.763178 -1.852018
H 3.130751 0.342851 -2.673388
H -5.875375 -1.862821 0.985323
H -4.721817 -1.251672 2.189600
H -4.459143 -3.697936 1.305952
H -3.835570 -3.000761 -0.209683
H -4.132216 1.081572 1.713226
H -4.656951 -0.567734 -0.856886
H 0.207000 0.920993 -4.006318
H 2.025439 -0.163719 0.069849
H -2.564041 -2.361584 2.538959
H -2.104171 -3.772444 1.562273
H 3.254141 -2.161050 -0.841667
H 5.739924 -1.697573 -1.371961
H 5.346028 0.021011 -1.650224
H -3.232501 3.827000 1.511516
H 5.147872 -1.465243 1.097356
H 5.565989 1.497583 0.293233
H 6.564391 1.383775 2.669991
H 5.528836 -0.019159 3.023330
H 4.565960 2.111466 4.006051
H 4.504236 2.850347 2.379834
H 3.461754 1.450960 2.759486
H 0.059987 -0.686011 1.007409


