%chk=000228779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228779

0 1
O 3.517068 0.809166 -0.861367
O 2.794584 -1.318248 -0.363593
C 2.382517 -0.070742 -0.953235
C 4.432302 0.334869 0.156665
C 4.055961 -1.160799 0.339589
C 1.191420 0.507272 -0.189523
C -0.127559 -0.105628 -0.669137
C -1.324068 0.468810 0.100672
C -2.645162 -0.145905 -0.381086
C -3.843499 0.427106 0.387578
C 4.268202 1.162287 1.420338
C 5.049626 -2.119567 -0.292952
C -5.164221 -0.188150 -0.093861
C -6.364285 0.384048 0.673851
C -7.681587 -0.225071 0.198582
H 2.215825 -0.250742 -2.031320
H 5.429128 0.488245 -0.309225
H 3.829228 -1.432203 1.391576
H 1.323052 0.329278 0.895595
H 1.186271 1.608402 -0.318038
H -0.089071 -1.207151 -0.542972
H -0.258274 0.072742 -1.754186
H -1.355434 1.569158 -0.017206
H -1.197315 0.284690 1.185061
H -2.772335 0.036051 -1.465711
H -2.613433 -1.246372 -0.262335
H -3.875565 1.527297 0.268726
H -3.716822 0.244600 1.472127
H 5.030210 0.919957 2.168089
H 3.282289 1.022308 1.880581
H 4.352887 2.233604 1.188654
H 4.644612 -3.141708 -0.298885
H 5.247335 -1.863387 -1.342469
H 6.002864 -2.136286 0.243798
H -5.292354 -0.007050 -1.178328
H -5.133793 -1.288344 0.024478
H -6.238410 0.201413 1.758996
H -6.397178 1.484682 0.554409
H -7.697070 -1.311987 0.337984
H -8.531812 0.188856 0.751924
H -7.855933 -0.029401 -0.865542


%chk=000228779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228779

0 1
O 3.606505 1.015181 -0.390192
O 2.700269 -1.054317 0.284926
C 2.441397 0.114388 -0.565847
C 4.679025 0.264823 0.329888
C 4.179866 -1.210351 0.313395
C 1.150607 0.799675 -0.134874
C -0.103583 -0.069287 -0.378096
C -1.406258 0.648401 0.039532
C -2.675899 -0.197930 -0.203123
C -3.977735 0.527708 0.205938
C 4.859837 0.849081 1.735513
C 4.692782 -2.030126 -0.880146
C -5.252805 -0.310017 -0.039230
C -6.552923 0.425912 0.358820
C -7.823927 -0.413977 0.107748
H 2.408704 -0.196401 -1.634358
H 5.602834 0.379293 -0.268421
H 4.394383 -1.723608 1.266663
H 1.243061 1.058897 0.936711
H 1.070251 1.749471 -0.699168
H -0.001490 -1.018443 0.182958
H -0.164477 -0.341956 -1.452920
H -1.492967 1.605662 -0.516805
H -1.346381 0.918722 1.114533
H -2.732629 -0.474372 -1.276991
H -2.594605 -1.151691 0.359009
H -4.054582 1.483035 -0.354929
H -3.921517 0.802951 1.280184
H 5.739183 0.402732 2.237889
H 3.962952 0.655274 2.350227
H 5.011153 1.940527 1.675786
H 4.178052 -3.005205 -0.923749
H 4.521403 -1.500017 -1.834294
H 5.779189 -2.214371 -0.782598
H -5.306828 -0.591959 -1.111882
H -5.183433 -1.261788 0.528355
H -6.498692 0.705864 1.430892
H -6.618773 1.377617 -0.207306
H -7.795346 -1.357880 0.684658
H -8.738134 0.134011 0.401946
H -7.918269 -0.679431 -0.962342


