%chk=000080389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080389

0 1
 O    4.008000      0.6623000     -0.2755000    
 O    3.029900      -2.076700     -0.8966000    
 O    3.886000     -0.6182000       1.661900    
 C   -1.580000     -0.2079000     -6.2600002E-02
 C   -2.990600      0.1082000     -3.9999999E-04
 C    1.139400     -0.8192000     -0.1826000    
 C  -0.6613000      0.5550000      0.6580000    
 C   -1.139100      -1.276600     -0.8431000    
 C   0.6984000      0.2496000      0.5980000    
 C   0.2206000      -1.582300     -0.9031000    
 C   -3.795100     -0.4812000      0.9750000    
 C   -3.546100       1.002800     -0.9152000    
 C    2.556800      -1.138400     -0.2453000    
 C   -5.154900     -0.1765000       1.035300    
 C   -4.906000       1.307700     -0.8547000    
 C   -5.710300      0.7180000      0.1205000    
 C    3.575500     -0.3320000      0.5226000    
 C    4.990800       1.522100      0.3078000    
 C    5.377900       2.583400     -0.6998000    
 H  -0.9885000       1.391400       1.271300    
 H   -1.842100      -1.881600      -1.411000    
 H    1.385400      0.8651000       1.171600    
 H   0.5426000      -2.419000      -1.517500    
 H   -3.378200      -1.180600       1.696000    
 H   -2.933400       1.471500      -1.681700    
 H   -5.781200     -0.6355000       1.794500    
 H   -5.338600       2.004200      -1.566900    
 H   -6.769000      0.9554000      0.1675000    
 H    4.575600       1.996300       1.204200    
 H    5.873400      0.9342000      0.5841000    
 H    6.130000       3.260500     -0.2854000    
 H    5.778700       2.123600      -1.609200    
 H    4.501900       3.168300     -0.9990000    


%chk=000080389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080389

0 1
O 4.485481 0.830522 -0.371179
O 2.921740 -0.966766 -1.808694
O 3.355709 0.023333 1.501148
C -1.838968 -0.082202 -0.149989
C -3.312156 0.025006 0.036693
C 0.997135 -0.282843 -0.509435
C -0.935517 0.438421 0.819232
C -1.287442 -0.709691 -1.306326
C 0.457160 0.341393 0.650140
C 0.099841 -0.807361 -1.483774
C -3.889020 -0.001509 1.337651
C -4.182601 0.156293 -1.081778
C 2.455126 -0.395686 -0.781459
C -5.284744 0.099212 1.514068
C -5.578200 0.260046 -0.906001
C -6.137139 0.231625 0.393044
C 3.448056 0.174203 0.257617
C 5.581161 1.344130 0.517826
C 6.570891 2.068361 -0.386275
H -1.329856 0.949339 1.703992
H -1.957045 -1.149331 -2.053166
H 1.125606 0.736776 1.419596
H 0.523185 -1.293859 -2.368899
H -3.244663 -0.136606 2.213503
H -3.762757 0.211599 -2.092392
H -5.708141 0.065037 2.523948
H -6.228883 0.371335 -1.780377
H -7.221187 0.310635 0.529740
H 5.127933 2.006252 1.277909
H 6.029039 0.476799 1.035410
H 7.409526 2.460001 0.217855
H 6.979433 1.384119 -1.148706
H 6.087801 2.915319 -0.902221


