%chk=000259029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259029

0 1
O 4.506146 0.288933 0.328391
O -6.295152 0.530589 0.544646
O 6.681863 2.508428 0.295369
C 2.132900 0.005277 -0.025681
C 1.309948 -1.245829 -0.478430
C -0.138780 -1.127762 0.006396
C -0.766651 0.107282 -0.706368
C 3.559591 -0.428969 -0.489560
C 1.549878 1.234098 -0.743855
C 2.171072 -2.440349 -0.032192
C 0.054028 1.384643 -0.412138
C 3.627711 -1.954507 -0.218055
C -0.977667 -2.372367 -0.314844
C 2.144948 0.232029 1.491014
C -2.229526 0.254305 -0.345085
C -2.379506 -2.224343 0.285700
C -2.986041 -0.860172 0.090090
C -2.872581 1.488168 -0.500253
C 5.867567 0.254468 -0.162869
C -4.346289 -0.714844 0.376986
C -4.231767 1.656879 -0.218752
C -4.953548 0.543671 0.221823
C 6.624707 1.169696 0.802579
C -7.029401 1.771569 0.422926
H 1.286949 -1.263042 -1.599150
H -0.155951 -0.961663 1.110002
H -0.728364 -0.075523 -1.813054
H 3.746304 -0.186972 -1.552933
H 1.688917 1.148693 -1.836771
H 2.094573 2.147227 -0.439872
H 1.962710 -3.340772 -0.629397
H 1.973695 -2.707901 1.019319
H -0.063457 1.656616 0.655795
H -0.359382 2.233681 -0.989861
H 4.224611 -2.144010 0.690946
H 4.125340 -2.486084 -1.041714
H -0.491410 -3.280734 0.085969
H -1.045021 -2.521299 -1.409245
H 2.860969 1.024112 1.750318
H 1.161567 0.524989 1.871760
H 2.462471 -0.665960 2.031376
H -2.342390 -2.435075 1.377209
H -3.048682 -2.999303 -0.142735
H -2.306047 2.352445 -0.853687
H 6.235903 -0.784303 -0.132533
H 5.901452 0.635830 -1.198786
H -4.949442 -1.552861 0.717370
H -4.695583 2.627059 -0.345675
H 7.691137 0.891246 0.890885
H 6.145864 1.174283 1.801151
H 5.773678 2.873947 0.223070
H -6.617192 2.525249 1.099780
H -8.036509 1.469139 0.737638
H -7.029458 2.112791 -0.616112


%chk=000259029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259029

0 1
O 4.632889 0.381954 0.294378
O -6.465828 0.498369 0.297818
O 6.323002 2.596842 -0.118938
C 2.171987 0.000212 0.188430
C 1.341214 -1.216869 -0.332028
C -0.142960 -1.128276 0.062379
C -0.739876 0.174815 -0.559687
C 3.573946 -0.422179 -0.327427
C 1.596461 1.290568 -0.439992
C 2.183602 -2.454774 0.079334
C 0.076608 1.437358 -0.153764
C 3.667797 -1.954376 -0.015754
C -0.978622 -2.341648 -0.398353
C 2.200906 0.113370 1.735972
C -2.249172 0.290717 -0.289179
C -2.408947 -2.249893 0.171060
C -3.035458 -0.865721 0.011972
C -2.918292 1.534876 -0.388148
C 5.966125 0.163619 -0.290926
C -4.428746 -0.738980 0.196899
C -4.311866 1.668737 -0.201176
C -5.073491 0.513711 0.093903
C 6.847173 1.283591 0.265798
C -7.172885 1.774971 0.191363
H 1.374109 -1.161433 -1.446352
H -0.222575 -1.066970 1.169234
H -0.612660 0.060722 -1.662837
H 3.615676 -0.260481 -1.430580
H 1.754427 1.257686 -1.539078
H 2.133711 2.182915 -0.063479
H 1.995149 -3.320589 -0.579662
H 1.938209 -2.772316 1.110329
H -0.096154 1.653670 0.918593
H -0.291724 2.319306 -0.710797
H 4.198695 -2.092122 0.944638
H 4.236659 -2.497821 -0.791013
H -0.507256 -3.286230 -0.066076
H -1.008067 -2.364151 -1.507558
H 2.924618 0.891572 2.032700
H 1.213945 0.385068 2.146416
H 2.515447 -0.829154 2.217562
H -2.378289 -2.499731 1.252522
H -3.063874 -3.008526 -0.299047
H -2.346327 2.438951 -0.621376
H 6.362991 -0.835178 -0.011101
H 5.904696 0.234354 -1.398855
H -5.041121 -1.619003 0.424584
H -4.778120 2.654574 -0.289404
H 7.864154 1.222744 -0.157163
H 6.908003 1.189269 1.370628
H 5.350611 2.574068 0.083973
H -6.812838 2.501429 0.946389
H -8.229614 1.536185 0.382628
H -7.067348 2.212896 -0.820854


