%chk=000031267.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031267

0 1
 O   0.9260000      -2.282600     -0.3106000    
 O  -0.4886000      -2.634200       1.477600    
 C    3.277000       2.167700     -8.7600000E-02
 C    3.368500      0.7145000      0.3886000    
 C    1.909000       2.607500     -0.6214000    
 C    3.153400     -0.3058000     -0.7324000    
 C   0.7729000       2.400400      0.3823000    
 C    3.274600      -1.753000     -0.2372000    
 C  -0.5310000       3.041600     -0.1002000    
 C   -3.002200     -0.8838000      0.1409000    
 C   -2.687600      0.1507000     -0.9440000    
 C   -2.752400      -2.330800     -0.3037000    
 C   -3.243600       1.546100     -0.6431000    
 C    2.063600      -2.223800      0.5662000    
 C   -1.337900      -2.627300     -0.7990000    
 C   -1.634900       2.787600      0.8856000    
 C   -2.782100       2.130400      0.6595000    
 C  -0.2847000      -2.505200      0.2785000    
 H    4.029500       2.340300     -0.8668000    
 H    3.549200       2.820000      0.7518000    
 H    4.367600      0.5607000      0.8163000    
 H    2.660700      0.5483000       1.206400    
 H    1.680000       2.076800      -1.552700    
 H    1.974000       3.671500     -0.8811000    
 H    2.179700     -0.1585000      -1.211200    
 H    3.914200     -0.1402000      -1.505300    
 H    1.057300       2.829300       1.351600    
 H   0.6092000       1.327000      0.5386000    
 H    3.381100      -2.399700      -1.117000    
 H    4.183600      -1.866300      0.3643000    
 H  -0.7793000       2.659400      -1.095500    
 H  -0.3968000       4.125100     -0.2004000    
 H   -2.412500     -0.6690000       1.039500    
 H   -4.057000     -0.7985000      0.4304000    
 H   -3.109800     -0.1832000      -1.900000    
 H   -1.602100      0.2179000      -1.083500    
 H   -3.456600      -2.574400      -1.109200    
 H   -2.996900      -2.997400      0.5326000    
 H   -4.340200       1.503200     -0.6282000    
 H   -2.991400       2.221200      -1.469600    
 H    2.252000      -3.232700      0.9498000    
 H    1.860100      -1.555900       1.409200    
 H   -1.084500      -1.965500      -1.633700    
 H   -1.296000      -3.657400      -1.171600    
 H   -1.468000       3.167500       1.892100    
 H   -3.466400       2.014100       1.497900    


%chk=000031267-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031267

0 1
O 0.897331 -2.235683 -0.313606
O -0.500914 -2.717182 1.488887
C 3.358736 2.224375 -0.113707
C 3.460211 0.755108 0.369343
C 1.962250 2.654271 -0.633821
C 3.209956 -0.295423 -0.738515
C 0.823549 2.449203 0.390636
C 3.278751 -1.755978 -0.227438
C -0.527991 3.066495 -0.064935
C -3.081391 -0.924267 0.114714
C -2.736993 0.127373 -0.966133
C -2.836342 -2.388072 -0.327998
C -3.269450 1.555703 -0.645481
C 2.070656 -2.178632 0.613868
C -1.402669 -2.688234 -0.822769
C -1.634651 2.775424 0.928761
C -2.799425 2.111400 0.691039
C -0.341213 -2.548434 0.257881
H 4.108540 2.392775 -0.914355
H 3.642644 2.891628 0.726274
H 4.473571 0.589269 0.790733
H 2.752514 0.597627 1.207332
H 1.716372 2.105282 -1.565401
H 2.006794 3.727157 -0.914155
H 2.221989 -0.134066 -1.210553
H 3.965937 -0.155792 -1.537418
H 1.117202 2.894821 1.364164
H 0.669824 1.368024 0.576157
H 3.365325 -2.454605 -1.081517
H 4.189383 -1.890845 0.391959
H -0.787115 2.678662 -1.068334
H -0.392793 4.164057 -0.172111
H -2.503542 -0.712687 1.034550
H -4.151832 -0.823270 0.388920
H -3.160044 -0.192818 -1.942122
H -1.637718 0.182741 -1.097212
H -3.535594 -2.642394 -1.149875
H -3.068141 -3.063441 0.517191
H -4.377159 1.524839 -0.649345
H -2.970839 2.233784 -1.468412
H 2.202251 -3.181394 1.060230
H 1.840458 -1.467712 1.427495
H -1.119376 -2.057255 -1.682281
H -1.351916 -3.736687 -1.182120
H -1.435754 3.115545 1.958014
H -3.470683 1.942905 1.546168


