%chk=000179057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179057

0 1
O 4.479375 0.206950 -0.073801
O 4.454352 2.147623 -1.243628
C -1.299782 0.932427 1.449296
C -2.209554 0.267954 0.367034
C -3.506572 1.123238 0.387444
C -1.579670 2.447030 1.234497
C -3.035267 2.558062 0.743751
C 0.197407 0.585385 1.295235
C -2.456258 -1.244091 0.521302
C -1.725820 0.535941 2.877011
C -4.260112 1.064989 -0.923621
C 0.766201 0.670085 -0.129122
C -1.504279 -1.983776 -0.369504
C -5.652102 0.515984 -0.832000
C 2.063879 -0.085151 -0.229336
C -3.737831 1.470191 -2.084530
C -0.402321 -2.644838 0.017466
C 0.588369 -3.123558 -1.018166
C 2.254825 -1.224769 -0.909124
C 1.241835 -1.935625 -1.753977
C 3.197935 0.534616 0.549096
C -0.042730 -2.903250 1.445938
C 4.991288 1.094563 -0.997322
C 6.252811 0.529727 -1.552541
H -1.709329 0.435080 -0.625491
H -4.161562 0.754891 1.212190
H -0.886986 2.864922 0.484301
H -1.415503 3.025938 2.155432
H -3.685880 2.992726 1.519318
H -3.103364 3.233643 -0.125758
H 0.350269 -0.456896 1.669291
H 0.785762 1.236960 1.967783
H -3.498648 -1.490796 0.235168
H -2.360067 -1.553476 1.580527
H -1.075590 0.985570 3.632649
H -2.748685 0.864722 3.090275
H -1.699331 -0.552024 3.012821
H 0.913334 1.726644 -0.430378
H 0.024079 0.258015 -0.853313
H -1.737381 -1.880351 -1.431385
H -5.649969 -0.511403 -0.443811
H -6.274556 1.122710 -0.160751
H -6.158682 0.490600 -1.805474
H -4.265153 1.432498 -3.023202
H -2.740806 1.870905 -2.179704
H 1.374313 -3.753745 -0.558996
H 0.078923 -3.776631 -1.755028
H 3.236894 -1.707633 -0.886553
H 0.454755 -1.231242 -2.099449
H 1.733225 -2.305947 -2.677369
H 3.312509 0.080276 1.551073
H 3.108925 1.634574 0.631284
H -0.913061 -3.214950 2.036833
H 0.356598 -1.975418 1.903653
H 0.723845 -3.677965 1.558460
H 6.143934 0.326362 -2.629661
H 6.544374 -0.412175 -1.061716
H 7.083132 1.244008 -1.439318


%chk=000179057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179057

0 1
O 4.552510 0.145984 0.197870
O 5.166505 1.855474 -1.277246
C -1.332364 1.071025 1.299456
C -2.316899 0.337680 0.317833
C -3.673064 1.097545 0.511363
C -1.686557 2.556665 0.987867
C -3.235904 2.584697 0.792611
C 0.175162 0.727503 1.104228
C -2.419236 -1.216298 0.405738
C -1.664481 0.771180 2.789233
C -4.656246 0.921535 -0.652168
C 0.783971 0.850559 -0.326192
C -1.396927 -1.885686 -0.493255
C -5.995756 0.293367 -0.308856
C 2.118424 0.117231 -0.421717
C -4.358642 1.307341 -1.922864
C -0.292777 -2.617967 -0.171723
C 0.682879 -3.025867 -1.284854
C 2.339619 -1.037998 -1.111207
C 1.362244 -1.799807 -1.987067
C 3.222935 0.779964 0.392867
C 0.091281 -3.039263 1.233546
C 5.431200 0.781192 -0.694239
C 6.712499 -0.012617 -0.833730
H -1.982761 0.583931 -0.712162
H -4.161485 0.691936 1.420255
H -1.182793 2.869824 0.053280
H -1.347463 3.240299 1.788430
H -3.746416 2.972878 1.692635
H -3.523649 3.238787 -0.048059
H 0.332788 -0.313004 1.443797
H 0.753088 1.371762 1.800261
H -3.433536 -1.510235 0.065790
H -2.331782 -1.552400 1.454959
H -1.005843 1.367467 3.448748
H -2.707815 1.022712 3.049011
H -1.501159 -0.293906 3.038309
H 0.921405 1.920779 -0.584498
H 0.080143 0.423747 -1.058926
H -1.558317 -1.671812 -1.564278
H -5.858659 -0.712082 0.137433
H -6.532821 0.900864 0.446741
H -6.646424 0.191628 -1.194648
H -5.072674 1.178567 -2.744350
H -3.398794 1.772017 -2.181042
H 1.470905 -3.687088 -0.875437
H 0.151565 -3.609469 -2.063476
H 3.344436 -1.478476 -1.035312
H 0.566422 -1.133133 -2.366244
H 1.909820 -2.176103 -2.874985
H 3.037070 0.687270 1.477856
H 3.299756 1.852605 0.127852
H -0.626421 -2.699452 1.999347
H 1.094130 -2.647529 1.497721
H 0.157686 -4.143525 1.300955
H 6.775408 -0.421640 -1.858016
H 6.752864 -0.838323 -0.109034
H 7.577247 0.657763 -0.695305


