%chk=000270485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270485

0 1
O -0.377906 -1.235659 0.192966
O 2.013787 -1.611396 -0.112853
O -2.784997 -0.796732 -0.149185
O -0.543680 -1.052745 2.460599
O 4.089679 -2.430133 -0.645034
O -5.056305 -0.900010 -0.451229
C 1.169374 0.593242 -0.025444
C 1.399816 2.012929 -0.071294
C -1.268986 1.005427 -0.008759
C -1.015496 2.421154 -0.042999
C -0.159912 0.145631 0.062209
C 0.303811 2.889381 -0.065300
C 2.341133 -0.254043 -0.071831
C 2.749062 2.508995 -0.101618
C 3.822172 1.657095 -0.096258
C -2.655173 0.590645 -0.047166
C 3.614659 0.233520 -0.092111
C -2.133127 3.335256 -0.033847
C -3.698518 1.470994 -0.030241
C -3.416246 2.875044 -0.009606
C 5.227899 2.156452 -0.108150
C -0.554857 -1.750595 1.485155
C 2.918422 -2.619036 -0.463496
C -3.988980 -1.448062 -0.435078
C -0.729803 -3.224487 1.368721
C 2.140595 -3.884834 -0.551997
C -3.652385 -2.875638 -0.690957
H 0.486422 3.963670 -0.071247
H 2.890250 3.587601 -0.124410
H 4.486948 -0.423508 -0.123462
H -1.916638 4.402120 -0.041061
H -4.740429 1.143851 -0.046639
H -4.263652 3.562224 0.012689
H 5.294418 3.252078 -0.127063
H 5.777443 1.813155 0.781865
H 5.776170 1.781973 -0.986213
H -1.797064 -3.492669 1.395285
H -0.243974 -3.735688 2.216122
H -0.297203 -3.619267 0.429664
H 2.509023 -4.622260 0.178443
H 2.250952 -4.333578 -1.553270
H 1.057787 -3.727084 -0.372114
H -2.565898 -3.035054 -0.799167
H -4.133607 -3.220006 -1.622256
H -4.023485 -3.519853 0.120639


%chk=000270485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270485

0 1
O -0.569999 -1.275249 0.398772
O 2.054324 -1.714495 0.059485
O -3.212671 -0.755014 0.197370
O 0.109450 -1.098239 2.639373
O 3.257432 -2.096674 -1.933164
O -2.684670 -0.985067 -2.077581
C 1.056113 0.551909 0.068150
C 1.305506 1.990454 -0.015221
C -1.400812 1.002687 0.149334
C -1.124985 2.437458 0.084557
C -0.290847 0.112179 0.191654
C 0.212935 2.883944 0.014356
C 2.228785 -0.294379 0.012615
C 2.652365 2.490349 -0.106998
C 3.751379 1.639338 -0.125968
C -2.795066 0.618548 0.186871
C 3.512916 0.222296 -0.069595
C -2.209215 3.384165 0.118024
C -3.818865 1.555584 0.229546
C -3.526896 2.957393 0.208111
C 5.174055 2.151675 -0.221394
C -0.338367 -1.787940 1.709018
C 2.590222 -2.531511 -0.978576
C -3.106668 -1.484024 -1.020759
C -0.759076 -3.235868 1.773870
C 2.192641 -3.968727 -0.732851
C -3.580909 -2.903175 -0.812038
H 0.409968 3.962056 -0.015596
H 2.796452 3.575703 -0.164071
H 4.362140 -0.466048 -0.114611
H -1.968662 4.452089 0.073101
H -4.853136 1.199723 0.257787
H -4.349544 3.678451 0.241564
H 5.206352 3.253562 -0.256828
H 5.776803 1.820957 0.645567
H 5.674663 1.765903 -1.129492
H -1.861223 -3.288263 1.834687
H -0.332802 -3.702977 2.673721
H -0.437255 -3.778087 0.871021
H 2.243740 -4.211948 0.340411
H 2.846191 -4.637504 -1.311925
H 1.150058 -4.116134 -1.069872
H -2.719685 -3.527724 -0.514442
H -3.980789 -3.300299 -1.757488
H -4.340847 -2.956978 -0.017493


