%chk=000289698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289698

0 1
O 3.658945 -2.175525 -1.159504
O -3.472105 1.292477 -1.653054
O 3.643790 -1.513507 0.996517
O -4.933558 -0.398443 -1.958002
C 6.332124 -0.233205 0.420141
C -6.456600 0.771175 0.394765
C 7.470235 0.471752 -0.059804
C -6.928401 1.304172 1.625866
C 5.367791 -0.700540 -0.538711
C -5.098068 1.045214 0.011713
C 6.201575 -0.444182 1.830246
C -7.353402 -0.009653 -0.402672
C 7.621351 0.708905 -1.461522
C -6.050827 2.075530 2.449943
C 8.453121 0.939681 0.871026
C -8.280790 1.057368 2.027693
C 5.542472 -0.453884 -1.887498
C -4.274266 1.793734 0.831171
C 6.678312 0.259261 -2.353004
C -4.754436 2.311478 2.062884
C 7.157899 0.016056 2.698999
C -8.643328 -0.231104 0.007506
C 8.301940 0.716060 2.215384
C -9.117199 0.310861 1.238118
C 4.170112 -1.447863 -0.090261
C -4.561806 0.520267 -1.264955
C 2.416390 -2.910277 -0.942301
C -2.735522 0.869812 -2.840113
C 1.303391 -2.094224 -1.353541
C -1.619635 0.053051 -2.437736
C 0.372683 -1.402325 -1.701190
C -0.684303 -0.631132 -2.087237
H 5.316542 -0.970086 2.207140
H -6.988045 -0.440183 -1.342113
H 8.499903 1.255148 -1.808058
H -6.431469 2.471049 3.392801
H 9.320353 1.475709 0.487401
H -8.627984 1.474586 2.972135
H 4.804438 -0.810854 -2.613971
H -3.239333 1.997941 0.535690
H 6.784964 0.438283 -3.422292
H -4.078439 2.895075 2.686998
H 7.056653 -0.144206 3.772438
H -9.324849 -0.827015 -0.599560
H 9.044165 1.067313 2.930516
H -10.146980 0.118435 1.535021
H 2.559949 -3.800185 -1.593704
H 2.341266 -3.211737 0.128549
H -3.421158 0.331419 -3.535105
H -2.419161 1.843914 -3.273553


%chk=000289698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289698

0 1
O 3.786169 -2.153571 -1.403175
O -3.573773 1.472439 -1.619179
O 3.911796 -1.792224 0.894574
O -5.185960 -0.154918 -2.044009
C 6.532682 -0.337245 0.428916
C -6.661848 0.798615 0.430085
C 7.720698 0.381720 -0.003181
C -7.167815 1.330688 1.685287
C 5.646544 -0.864962 -0.596220
C -5.358308 1.254350 -0.025324
C 6.313946 -0.484328 1.841204
C -7.485265 -0.138013 -0.282927
C 7.984423 0.556685 -1.400078
C -6.384622 2.267076 2.434570
C 8.625911 0.915072 0.973641
C -8.452482 0.914093 2.169190
C 5.950086 -0.666442 -1.957535
C -4.626806 2.177498 0.747447
C 7.114026 0.042604 -2.362507
C -5.134207 2.683876 1.975263
C 7.217421 0.047513 2.766368
C -8.733415 -0.521674 0.216847
C 8.383473 0.753278 2.337289
C -9.226912 0.003731 1.450713
C 4.403610 -1.612274 -0.247787
C -4.755947 0.759312 -1.296514
C 2.484497 -2.856341 -1.174729
C -2.838351 0.991673 -2.831077
C 1.349899 -2.008418 -1.532824
C -1.691321 0.163874 -2.465162
C 0.370728 -1.308297 -1.834817
C -0.708437 -0.531708 -2.164608
H 5.422217 -1.013230 2.181973
H -7.114781 -0.555165 -1.220940
H 8.885133 1.105163 -1.701333
H -6.785669 2.651004 3.380395
H 9.515011 1.454015 0.625112
H -8.814533 1.327449 3.118155
H 5.267609 -1.067457 -2.710239
H -3.647061 2.500558 0.388583
H 7.318162 0.181374 -3.428967
H -4.537507 3.396584 2.553324
H 7.026652 -0.077642 3.838059
H -9.341658 -1.238592 -0.345834
H 9.078742 1.163033 3.077850
H -10.206992 -0.309685 1.826159
H 2.537527 -3.751697 -1.817368
H 2.428533 -3.154639 -0.110368
H -3.545147 0.426743 -3.468115
H -2.517980 1.914099 -3.344984


