%chk=000086580.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086580

0 1
 O    1.082800     -1.5400000E-02  0.6510000    
 O    2.562500       1.529100     -0.2141000    
 C   -1.277900      0.3978000       1.203400    
 C   -1.803400       1.250600     -0.7873000    
 C   -1.657600     -0.8632000      0.3837000    
 C   -2.012800     -0.2652000      -1.002500    
 C   -2.239500       1.461200      0.6684000    
 C   6.7800000E-02  0.9671000      0.7018000    
 C  -0.2851000       1.512900     -0.6931000    
 C   -2.912800      -1.597300      0.8822000    
 C   -3.430300     -0.6822000      -1.222600    
 C   -3.909400      -1.410700     -0.2117000    
 C    2.301100      0.3966000      0.1672000    
 C    3.268200     -0.7652000      0.1777000    
 C    4.636700     -0.3746000     -0.3749000    
 C    5.609800      -1.541400     -0.3293000    
 H   -1.300000      0.2364000       2.283600    
 H   -2.310500       1.882700      -1.519900    
 H  -0.8216000      -1.568900      0.3212000    
 H   -1.373900     -0.6652000      -1.797400    
 H   -2.019600       2.468400       1.039700    
 H   -3.294200       1.239700      0.8536000    
 H   0.3879000       1.783500       1.363100    
 H   0.2592000       1.038900      -1.516000    
 H  -9.4200000E-02   2.592000     -0.7285000    
 H   -3.284500      -1.196900       1.830500    
 H   -2.705000      -2.663900       1.018600    
 H   -3.997200     -0.4280000      -2.106900    
 H   -4.911600      -1.813500     -0.1789000    
 H    3.370400      -1.112100       1.212000    
 H    2.840700      -1.571400     -0.4290000    
 H    4.536100     -2.5300000E-02  -1.409500    
 H    5.049200      0.4615000      0.2025000    
 H    6.582400      -1.239800     -0.7307000    
 H    5.759000      -1.887900      0.6983000    
 H    5.241900      -2.382300     -0.9259000    


%chk=000086580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086580

0 1
O 1.106488 -0.025394 0.189159
O 2.727981 1.630056 -0.092443
C -1.171023 0.442731 1.084089
C -2.029502 1.278320 -0.866868
C -1.651027 -0.844248 0.343726
C -2.246790 -0.267716 -1.012004
C -2.246814 1.489531 0.661459
C 0.065230 1.032716 0.361365
C -0.502527 1.557031 -1.002822
C -2.826227 -1.595282 1.054914
C -3.693309 -0.726477 -1.003039
C -4.007684 -1.444226 0.106911
C 2.414014 0.417707 -0.041465
C 3.356272 -0.760302 -0.231460
C 4.808552 -0.438787 0.187138
C 5.774749 -1.594176 -0.145462
H -1.016980 0.301319 2.166270
H -2.661877 1.882674 -1.537743
H -0.803077 -1.524373 0.165737
H -1.712581 -0.639398 -1.908778
H -2.013374 2.517389 0.994563
H -3.262882 1.225582 0.999098
H 0.527872 1.849954 0.942212
H -0.050773 1.018046 -1.854915
H -0.286773 2.631760 -1.129103
H -3.050107 -1.158186 2.050472
H -2.585803 -2.661888 1.233948
H -4.389217 -0.492226 -1.816859
H -4.992116 -1.877213 0.318814
H 2.957384 -1.632749 0.315922
H 3.335278 -1.031210 -1.307722
H 5.128263 0.489909 -0.319775
H 4.836417 -0.224590 1.272937
H 6.805889 -1.352009 0.169373
H 5.477001 -2.529081 0.365826
H 5.793675 -1.797194 -1.233177


