%chk=000226219.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226219

0 1
O 0.600567 -0.713291 -2.328850
O -0.600869 1.821358 1.494713
O 4.902476 0.093916 -0.305109
O -4.900373 0.258905 -0.034931
O -0.696642 1.101538 -2.473005
O 0.694849 2.662281 -0.121149
C 0.000966 0.289050 -0.241106
C 1.266399 -0.457287 0.250564
C -1.262130 -0.457092 0.256806
C 2.573968 0.148156 -0.264813
C -2.571786 0.250015 -0.099149
C -0.083969 0.339241 -1.769455
C 0.083674 1.716610 0.307375
C 3.778029 -0.537293 0.379017
C -3.773353 -0.612170 0.284258
C 6.175993 -0.293039 0.046489
C -6.172500 -0.218465 0.186469
C 6.495734 -1.260265 1.006055
C -6.488559 -1.477729 0.708857
C 7.170722 0.399043 -0.677638
C -7.169962 0.713573 -0.172972
C 7.849187 -1.536182 1.240724
C -7.841067 -1.804685 0.872745
C 8.503924 0.101916 -0.421182
C -8.502135 0.358402 0.002098
C 8.849129 -0.865197 0.537054
C -8.843663 -0.899689 0.524838
H 1.261011 -0.477334 1.359945
H 1.200102 -1.516550 -0.083069
H -1.254773 -1.486964 -0.156098
H -1.194323 -0.561409 1.362360
H 2.641885 0.045081 -1.371422
H 2.627379 1.243681 -0.081465
H -2.641094 1.229656 0.425519
H -2.627389 0.506202 -1.179858
H 3.861907 -0.333184 1.459662
H 3.810232 -1.622312 0.182007
H -3.805360 -0.849001 1.361293
H -3.854024 -1.530733 -0.320908
H 0.534055 -0.717429 -3.326027
H -0.535751 2.738474 1.886458
H 5.732791 -1.791002 1.561605
H -5.723519 -2.192677 0.984472
H 6.876767 1.143871 -1.412940
H -6.878830 1.680107 -0.576585
H 8.117774 -2.286350 1.984482
H -8.106801 -2.780990 1.278058
H 9.289094 0.624209 -0.968200
H -9.289369 1.062187 -0.268940
H 9.895544 -1.087287 0.727374
H -9.889314 -1.164065 0.656176


%chk=000226219-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226219

0 1
O 0.522665 -0.524317 -2.524318
O -0.520490 2.131546 1.375736
O 5.029673 0.268888 -0.190714
O -5.028248 0.226351 -0.231694
O -0.615694 1.487052 -2.674407
O 0.620855 3.006611 -0.439905
C 0.000658 0.593657 -0.431409
C 1.272941 -0.148763 0.111841
C -1.270337 -0.185620 0.060062
C 2.629922 0.465954 -0.294896
C -2.629002 0.414737 -0.361504
C -0.054087 0.629691 -1.967315
C 0.057142 2.035556 0.098330
C 3.784319 -0.406446 0.206483
C -3.781041 -0.398473 0.235870
C 6.247116 -0.343239 0.154324
C -6.244105 -0.340999 0.187325
C 6.357598 -1.568921 0.858095
C -6.351743 -1.476127 1.029731
C 7.411603 0.355023 -0.253391
C -7.410260 0.305099 -0.294793
C 7.642585 -2.086167 1.147859
C -7.635596 -1.954929 1.383610
C 8.682757 -0.173547 0.043304
C -8.680191 -0.184410 0.066873
C 8.807926 -1.398262 0.746047
C -8.802595 -1.318130 0.908918
H 1.185856 -0.180601 1.216129
H 1.216223 -1.190498 -0.255206
H -1.180918 -1.223926 -0.317124
H -1.213749 -0.228222 1.163672
H 2.701171 0.547375 -1.394028
H 2.749755 1.484990 0.114405
H -2.714070 1.457860 -0.008566
H -2.738245 0.433442 -1.460511
H 3.752789 -0.514756 1.312051
H 3.743576 -1.418315 -0.249621
H -3.745001 -0.380686 1.345842
H -3.741799 -1.456193 -0.102770
H 0.400706 -0.497097 -3.512205
H -0.397238 3.060353 1.712868
H 5.469138 -2.120314 1.179829
H -5.461974 -1.986655 1.409958
H 7.294148 1.298857 -0.794840
H -7.295120 1.178868 -0.943677
H 7.726212 -3.034103 1.691741
H -7.716890 -2.832590 2.035159
H 9.579097 0.370876 -0.274370
H -9.577738 0.319435 -0.308982
H 9.798014 -1.806248 0.974691
H -9.791714 -1.695867 1.188098


