%chk=000187315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187315

0 1
O -2.821503 2.148355 0.674980
O -4.864945 1.132057 -1.122990
C 0.726133 -0.363253 0.042908
C 2.097265 0.089145 -0.010437
C -0.341996 0.585036 0.092698
C 0.448378 -1.755218 0.049749
C -1.669244 0.118506 0.122565
C 2.390690 1.481601 -0.013463
C 3.159523 -0.854929 -0.059815
C -1.933328 -1.274088 0.127945
C -0.887572 -2.195581 0.100605
C -0.000559 1.999141 0.097712
C 1.551701 -2.697599 0.003173
C 1.284275 2.421529 0.046005
C 2.837078 -2.270164 -0.050184
C 3.726048 1.906219 -0.069544
C 4.488012 -0.397952 -0.115252
C -2.829228 1.048575 0.181793
C -3.325978 -1.761975 0.160024
C 4.763198 0.969614 -0.120659
C -4.140391 0.470553 -0.427866
C -4.366348 -0.955705 -0.087318
H -1.097552 -3.264880 0.112680
H -0.825088 2.720603 0.160420
H 1.308871 -3.760316 0.011299
H 1.526500 3.485964 0.050948
H 3.666965 -2.977618 -0.087006
H 3.957910 2.971150 -0.072912
H 5.306397 -1.116237 -0.153940
H -3.465647 -2.823411 0.383638
H 5.796926 1.313115 -0.164443
H -5.403990 -1.289337 -0.093012


%chk=000187315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187315

0 1
O -2.805790 2.335222 -0.021486
O -5.324126 1.206636 -0.017916
C 0.749790 -0.343775 -0.006047
C 2.120310 0.091016 -0.008408
C -0.336080 0.620013 -0.013491
C 0.466814 -1.757883 0.004051
C -1.701653 0.151441 -0.010144
C 2.433553 1.496239 -0.018784
C 3.194247 -0.873503 -0.000393
C -1.951878 -1.267868 -0.000742
C -0.884272 -2.186691 0.006212
C 0.018685 2.026829 -0.024235
C 1.554715 -2.706701 0.011910
C 1.341207 2.438001 -0.026889
C 2.871672 -2.280834 0.009820
C 3.792406 1.911415 -0.020868
C 4.542187 -0.417687 -0.002657
C -2.877585 1.068457 -0.015360
C -3.315074 -1.806618 0.002176
C 4.836635 0.961219 -0.012822
C -4.313539 0.444851 -0.012441
C -4.434369 -1.018884 -0.003394
H -1.103014 -3.261340 0.013501
H -0.791003 2.757283 -0.029663
H 1.314824 -3.775888 0.019633
H 1.575337 3.509159 -0.035312
H 3.692345 -3.007350 0.015987
H 4.023209 2.982841 -0.028869
H 5.354454 -1.153662 0.003653
H -3.413689 -2.899509 0.009171
H 5.878945 1.296456 -0.014424
H -5.446760 -1.435983 -0.001466


