%chk=000181042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181042

0 1
I 3.529818 -1.777875 0.056713
O 0.374274 1.288155 -0.317141
C -0.817304 -0.833891 -0.303242
C -0.775787 0.609968 0.244619
C 0.485491 -1.552737 0.094830
C -2.081436 -1.531859 0.218361
C 1.672636 0.721348 0.025417
C 1.660080 -0.753324 -0.448394
C -1.987985 1.418655 -0.227975
C -3.331277 -0.746369 -0.211196
C -3.275341 0.723521 0.234879
C 1.933490 0.888153 1.520121
C 2.612306 1.580071 -0.821833
H -0.868714 -0.785527 -1.419593
H -0.687277 0.625550 1.351282
H 0.546538 -1.665572 1.195534
H 0.489116 -2.584744 -0.308836
H -2.048548 -1.620133 1.320534
H -2.134358 -2.566453 -0.167960
H 1.659643 -0.777837 -1.560234
H -1.965827 1.521477 -1.330107
H -1.931086 2.450775 0.164830
H -4.235687 -1.227897 0.205567
H -3.439593 -0.795067 -1.312322
H -4.153512 1.267220 -0.162143
H -3.354959 0.781811 1.337826
H 3.000918 0.791216 1.757740
H 1.611799 1.883137 1.853378
H 1.402181 0.148930 2.128480
H 3.650484 1.233597 -0.762116
H 2.307659 1.582498 -1.875929
H 2.583756 2.626304 -0.491190


%chk=000181042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181042

0 1
I 3.585903 -1.843157 0.023651
O 0.382893 1.318743 -0.389171
C -0.842523 -0.833118 -0.323384
C -0.796111 0.626634 0.174074
C 0.480774 -1.547051 0.060108
C -2.103791 -1.543221 0.223832
C 1.715774 0.743845 0.017524
C 1.675093 -0.735152 -0.470555
C -2.040039 1.416409 -0.252851
C -3.383682 -0.768432 -0.177956
C -3.318670 0.713621 0.270359
C 1.937885 0.913601 1.535894
C 2.714121 1.590185 -0.786523
H -0.912716 -0.796284 -1.432159
H -0.731811 0.623512 1.286455
H 0.544563 -1.657530 1.159912
H 0.502834 -2.565751 -0.367489
H -2.040086 -1.607889 1.330522
H -2.146948 -2.583293 -0.154540
H 1.695861 -0.744689 -1.574116
H -2.061760 1.476370 -1.358703
H -1.973001 2.451342 0.130055
H -4.275397 -1.257198 0.259506
H -3.502201 -0.810967 -1.280116
H -4.215122 1.258282 -0.081608
H -3.333956 0.759037 1.379171
H 2.995246 0.732179 1.791794
H 1.682917 1.950229 1.818042
H 1.326903 0.224080 2.142784
H 3.745576 1.227611 -0.640841
H 2.467959 1.548077 -1.861930
H 2.655011 2.643076 -0.461843


