%chk=000245365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245365

0 1
O -0.227134 0.717611 -1.126060
O -0.598084 -0.443499 0.851614
O 2.892323 1.890573 -0.376718
O 2.197221 -2.450387 0.593534
O 1.055313 2.575156 0.759629
O 0.382188 -2.688215 -0.741243
C -1.295985 0.267611 -0.222116
C -1.968645 1.490017 0.385158
C -2.160920 -0.691670 -1.025925
C -3.279424 1.113816 1.081179
C -3.470425 -1.000005 -0.293124
C -4.182745 0.281046 0.161307
C 1.051852 0.461981 -0.558201
C 0.782618 -0.591658 0.543931
C 1.589770 1.768863 0.044852
C 1.024952 -2.015670 0.020958
C 3.618951 3.074471 0.052582
C 2.636331 -3.795859 0.261189
H -2.147106 2.231758 -0.420551
H -1.270286 1.987788 1.094558
H -1.593886 -1.631731 -1.218030
H -2.358348 -0.249551 -2.023279
H -3.054722 0.542418 2.004843
H -3.804948 2.031117 1.406339
H -4.132392 -1.593082 -0.951616
H -3.255197 -1.641234 0.586175
H -5.120347 0.022911 0.688138
H -4.481402 0.880835 -0.719531
H 1.692636 0.118491 -1.403963
H 1.321301 -0.425448 1.506657
H 3.214352 3.946617 -0.470496
H 4.645207 2.849983 -0.257580
H 3.534128 3.195849 1.137289
H 1.944394 -4.516760 0.707907
H 3.629794 -3.842171 0.720250
H 2.679169 -3.918275 -0.825755


%chk=000245365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245365

0 1
O -0.191821 0.654957 -1.217180
O -0.714890 -0.387855 0.851824
O 2.996805 1.820200 -0.352515
O 2.291388 -2.383665 0.577436
O 1.095144 2.532119 0.792216
O 0.261769 -2.814748 -0.489342
C -1.338342 0.300945 -0.324895
C -2.055557 1.557144 0.185636
C -2.260926 -0.657050 -1.089766
C -3.295287 1.180170 1.033565
C -3.505909 -1.017110 -0.242056
C -4.249838 0.247985 0.249453
C 1.070615 0.412779 -0.527687
C 0.697346 -0.609131 0.605504
C 1.668877 1.701895 0.055560
C 1.002398 -2.048526 0.158989
C 3.721754 3.013959 0.153482
C 2.770832 -3.731259 0.177834
H -2.370473 2.140354 -0.701802
H -1.339194 2.169774 0.758609
H -1.690185 -1.561720 -1.359666
H -2.568082 -0.147688 -2.024129
H -2.957140 0.670649 1.956885
H -3.820567 2.103217 1.344354
H -4.181409 -1.658221 -0.839620
H -3.178406 -1.614305 0.631128
H -5.109644 -0.039960 0.884649
H -4.662156 0.795622 -0.623989
H 1.781965 -0.003712 -1.258403
H 1.246380 -0.408993 1.540350
H 3.241823 3.932094 -0.224008
H 4.742966 2.908317 -0.236992
H 3.712995 3.025817 1.256214
H 2.131389 -4.507332 0.630182
H 3.798379 -3.788383 0.562004
H 2.747505 -3.834642 -0.919924


