%chk=000114922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114922

0 1
O 0.440027 0.746616 2.693382
O 0.941320 -1.671099 0.867741
O -2.794639 0.512711 -0.270186
O -1.245826 -2.577861 -0.499154
O 0.893767 2.297707 -2.173833
O -3.751569 -1.032589 -1.615037
C -0.424035 0.774828 0.230684
C -0.386262 0.173639 1.652515
C 0.967857 0.488183 -0.450706
C -0.335628 -1.343315 1.389204
C -1.503935 -0.145755 -0.435723
C -1.015760 0.770776 2.874930
C -1.507233 -1.482342 0.367495
C 1.282257 -1.047553 -0.409987
C -0.810698 2.241858 0.198934
C 2.085845 1.252547 0.286663
C 0.940489 0.883141 -1.951823
C 2.734442 -1.390803 -0.549514
C 3.479464 0.974586 -0.289212
C 3.730370 -0.496327 -0.486739
C -3.863610 -0.018122 -0.965101
C 5.165890 -0.891058 -0.627714
C -5.058967 0.836496 -0.746901
H -0.416771 -2.000153 2.274663
H -1.339157 -0.302748 -1.522238
H -1.455094 1.764670 2.850961
H -1.373813 0.137909 3.682830
H -2.475035 -1.638268 0.888229
H 0.674849 -1.592337 -1.176584
H -0.173279 2.839629 0.861292
H -0.716241 2.659364 -0.818589
H -1.853915 2.391718 0.507153
H 2.077849 0.949103 1.360819
H 1.880559 2.338765 0.282650
H 0.019794 0.532495 -2.460132
H 1.823598 0.478820 -2.482403
H 2.920345 -2.458987 -0.660000
H 4.242802 1.400865 0.395259
H 3.623196 1.499941 -1.255196
H -2.029973 -2.710830 -1.095066
H 1.641846 2.739485 -1.719035
H 5.709747 -0.233256 -1.317484
H 5.286883 -1.918517 -0.997359
H 5.677525 -0.843104 0.345453
H -5.384819 1.297319 -1.694935
H -4.872482 1.652498 -0.029960
H -5.907077 0.240657 -0.372444


%chk=000114922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114922

0 1
O 0.382433 0.847914 2.852135
O 0.971997 -1.633087 0.957118
O -2.834312 0.556988 -0.351238
O -1.441010 -2.632231 -0.286563
O 1.159939 2.458278 -2.071217
O -3.674977 -1.300451 -1.478561
C -0.427819 0.845234 0.320630
C -0.408931 0.231403 1.746349
C 0.990761 0.546565 -0.367917
C -0.337234 -1.277787 1.501304
C -1.489123 -0.107432 -0.344587
C -1.127273 0.802576 2.927252
C -1.523277 -1.425412 0.508456
C 1.253685 -1.002421 -0.370347
C -0.795103 2.340134 0.300856
C 2.161015 1.219156 0.405967
C 1.005433 1.008263 -1.864655
C 2.681271 -1.382250 -0.683895
C 3.537041 0.936047 -0.244918
C 3.734140 -0.523368 -0.626521
C -3.845186 -0.149831 -0.994322
C 5.149999 -0.953364 -0.948116
C -5.136727 0.630513 -1.042320
H -0.449356 -1.899116 2.402672
H -1.258383 -0.356259 -1.395249
H -1.617148 1.779661 2.853005
H -1.524164 0.122931 3.692867
H -2.456975 -1.405985 1.114129
H 0.577686 -1.498560 -1.101013
H -0.147901 2.892240 1.006450
H -0.651661 2.776949 -0.699007
H -1.844569 2.487818 0.602615
H 2.176126 0.816529 1.431542
H 1.997863 2.308567 0.499543
H 0.052450 0.779358 -2.369624
H 1.808992 0.465094 -2.400783
H 2.844779 -2.437943 -0.933180
H 4.336928 1.237542 0.461187
H 3.708376 1.561759 -1.151147
H -2.223835 -2.595080 -0.905491
H 2.039100 2.739428 -1.714777
H 5.583424 -0.332728 -1.757912
H 5.197097 -2.009707 -1.262918
H 5.808848 -0.827282 -0.066330
H -5.375202 0.872167 -2.093331
H -5.064142 1.562357 -0.463727
H -5.960170 0.006122 -0.656605


