%chk=000028963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028963

0 1
 O    11.08550      0.8875000      5.5700000E-02
 C    2.448900     -0.6085000     -0.2186000    
 C    1.129100      7.9499997E-02  0.1345000    
 C    3.648500      0.2630000      0.1573000    
 C  -7.0400000E-02 -0.8064000     -0.2108000    
 C    4.968800     -0.4390000     -0.1648000    
 C   -1.387400     -0.1290000      0.1743000    
 C    6.167900      0.4459000      0.1798000    
 C   -2.622500     -0.9821000     -0.1286000    
 C    7.487600     -0.2432000     -0.1732000    
 C   -3.941200     -0.2950000      0.2337000    
 C    8.685700      0.6596000      0.1356000    
 C   -5.139500      -1.184800     -0.1002000    
 C    10.01130      4.1000000E-03 -0.2321000    
 C   -6.404900     -0.5088000      0.2162000    
 C   -7.440500      4.2800002E-02  0.4733000    
 C   -8.704600      0.7161000      0.7936000    
 C   -9.348200       1.224300     -0.4598000    
 C   -10.57400      0.8739000     -0.8660000    
 H    2.514300      -1.568000      0.3088000    
 H    2.474200     -0.8275000      -1.292900    
 H    1.114000      0.3147000       1.205700    
 H    1.052900       1.030300     -0.4068000    
 H    3.593800       1.214100     -0.3862000    
 H    3.611900      0.4996000       1.227700    
 H   1.4400000E-02  -1.764200      0.3166000    
 H  -7.0699997E-02  -1.026600      -1.285000    
 H    5.032500      -1.379900      0.3951000    
 H    4.996500     -0.6946000      -1.231100    
 H   -1.373500      0.1091000       1.245200    
 H   -1.471600      0.8253000     -0.3606000    
 H    6.153000      0.6873000       1.249500    
 H    6.092400       1.393800     -0.3669000    
 H   -2.628300      -1.233400      -1.196600    
 H   -2.545600      -1.929700      0.4191000    
 H    7.577800      -1.179600      0.3904000    
 H    7.493000     -0.5041000      -1.238500    
 H   -3.945800     -4.8099998E-02   1.303000    
 H   -4.019400      0.6551000     -0.3102000    
 H    8.592100       1.609200     -0.4061000    
 H    8.695600      0.9232000       1.200600    
 H   -5.123400      -1.446500      -1.164600    
 H   -5.073900      -2.123100      0.4629000    
 H    10.03940     -0.2367000      -1.299700    
 H    10.15760     -0.9174000      0.3407000    
 H    11.90630      0.4296000     -0.1933000    
 H   -9.367200      2.6799999E-02   1.329400    
 H   -8.515200       1.563500       1.462100    
 H   -8.789600       1.938300      -1.060700    
 H   -10.98880       1.286700      -1.779100    
 H   -11.18110      0.1752000     -0.3011000    


%chk=000028963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028963

0 1
O 11.320736 0.692337 0.325337
C 2.508338 -0.518620 -0.258424
C 1.178408 0.196666 0.070158
C 3.759433 0.314537 0.100068
C -0.069777 -0.637508 -0.296099
C 5.087379 -0.415361 -0.203525
C -1.401781 0.057455 0.066107
C 6.339354 0.417699 0.151239
C -2.645571 -0.778450 -0.310559
C 7.666170 -0.320611 -0.137303
C -3.976452 -0.104531 0.088045
C 8.911640 0.521429 0.220317
C -5.208964 -0.963211 -0.312983
C 10.223881 -0.215273 -0.058928
C -6.501286 -0.369483 0.075718
C -7.582246 0.127617 0.407537
C -8.879894 0.721982 0.793931
C -9.846725 0.856487 -0.377951
C -11.124715 0.405887 -0.373692
H 2.545404 -1.486291 0.284734
H 2.532400 -0.769059 -1.339890
H 1.152161 0.438887 1.153387
H 1.141519 1.168081 -0.465946
H 3.733009 1.274728 -0.456485
H 3.726457 0.579700 1.177723
H -0.018299 -1.618536 0.221337
H -0.055629 -0.859657 -1.383861
H 5.113458 -1.373236 0.357365
H 5.119057 -0.685191 -1.280148
H -1.418694 0.269232 1.155673
H -1.453045 1.042718 -0.442497
H 6.302779 0.696067 1.225170
H 6.320014 1.370746 -0.417295
H -2.641293 -0.968597 -1.404594
H -2.578161 -1.773553 0.177763
H 7.682960 -1.272789 0.433859
H 7.700344 -0.600300 -1.211481
H -3.998119 0.069466 1.181547
H -4.056631 0.890137 -0.392383
H 8.908963 1.466526 -0.356793
H 8.886015 0.799544 1.291946
H -5.194937 -1.125200 -1.410338
H -5.113138 -1.968213 0.147142
H 10.290402 -0.479012 -1.137776
H 10.265207 -1.156200 0.533312
H 12.189959 0.248065 0.158201
H -9.351183 0.119284 1.594499
H -8.694743 1.727960 1.227480
H -9.444938 1.363455 -1.266763
H -11.782753 0.541871 -1.239109
H -11.548771 -0.117383 0.492526


