%chk=000181392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181392

0 1
O -0.481711 1.097834 0.306271
O 4.958422 0.081839 -0.721836
O -1.812397 -0.709249 0.417702
O 0.745302 3.851466 1.029165
O 5.273265 -1.992742 -1.361548
O -3.637267 2.211264 0.813719
O -2.646069 0.290405 -2.159807
O -5.216632 -0.115880 0.331618
O -4.019962 -3.541655 0.481028
C 2.679706 0.853505 -0.264910
C 2.207888 -0.626098 -0.164473
C 1.806226 1.690364 0.698156
C 0.655883 0.765867 1.161876
C 1.105428 -0.676927 0.910409
C 3.365877 -1.601167 0.139161
C 4.168156 1.012845 0.057482
C 1.328666 2.995422 0.040278
C 4.579536 -1.255728 -0.710215
C -1.758534 0.706707 0.764703
C 2.959381 -3.052047 -0.105539
C -2.755763 1.546640 -0.077601
C -3.513697 0.676453 -1.104452
C -4.112950 -0.596487 -0.456261
C -3.125585 -1.299039 0.505387
C -2.867970 -2.771153 0.132946
H 2.514776 1.188162 -1.318982
H 1.760250 -0.909133 -1.148847
H 2.389251 1.970767 1.612051
H 0.358792 0.953230 2.212472
H 0.247637 -1.293650 0.568113
H 1.462017 -1.141841 1.845407
H 3.675900 -1.487872 1.211655
H 4.574941 1.988505 -0.270130
H 4.404979 0.851357 1.123018
H 0.604399 2.810223 -0.774068
H 2.179854 3.592795 -0.338121
H -1.888663 0.807426 1.858054
H 2.654763 -3.221266 -1.147324
H 3.799939 -3.736001 0.083058
H 2.128398 -3.353492 0.540117
H -2.212809 2.380693 -0.592210
H -4.314099 1.269103 -1.611077
H -4.486303 -1.286426 -1.245842
H -3.493255 -1.204120 1.553225
H -0.158109 3.537355 1.250183
H -1.961682 -3.156948 0.631889
H -2.770807 -2.922010 -0.960333
H -4.403484 1.624563 1.063986
H -1.827079 -0.139638 -1.786421
H -5.907767 -0.805417 0.416023
H -4.033235 -3.731103 1.442445


%chk=000181392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181392

0 1
O -0.264811 0.064067 -0.160596
O 5.232801 0.914190 -0.363588
O -2.225111 -1.220013 0.147098
O -0.333714 2.782336 1.350670
O 6.071057 -0.843973 -1.565777
O -2.581642 2.412697 -0.249689
O -3.479374 -0.654691 -2.244842
O -4.664633 1.082949 0.828248
O -5.512700 -2.694388 1.116117
C 2.780685 0.933471 -0.005978
C 2.724436 -0.619305 -0.240211
C 1.590969 1.294945 0.939069
C 0.697820 0.023793 0.981089
C 1.671519 -1.146599 0.774596
C 4.121617 -1.299189 -0.099520
C 4.147135 1.344317 0.562532
C 0.842667 2.569864 0.505151
C 5.215270 -0.441523 -0.755532
C -1.633318 0.165778 0.185460
C 4.147581 -2.739836 -0.641768
C -2.369671 1.075670 -0.840278
C -3.706568 0.426534 -1.283757
C -4.466705 -0.105206 -0.044596
C -3.613737 -1.193341 0.677009
C -4.185063 -2.608892 0.485048
H 2.662514 1.451797 -0.976748
H 2.355577 -0.809422 -1.265020
H 1.963909 1.450935 1.973502
H 0.118896 -0.048524 1.919447
H 1.144592 -2.052056 0.432437
H 2.158173 -1.378770 1.744268
H 4.366431 -1.320446 0.986189
H 4.265494 2.437265 0.632012
H 4.324258 0.900940 1.563582
H 0.554529 2.470799 -0.560653
H 1.515344 3.446049 0.602871
H -1.776383 0.561536 1.214949
H 3.920677 -2.751497 -1.722285
H 5.143659 -3.194655 -0.511151
H 3.401524 -3.364917 -0.119561
H -1.729208 1.216549 -1.725356
H -4.320752 1.172739 -1.812719
H -5.444634 -0.523858 -0.341481
H -3.575049 -0.941483 1.760276
H -1.155042 2.827995 0.770895
H -3.479348 -3.358526 0.891569
H -4.356738 -2.817598 -0.583230
H -3.408632 2.337945 0.313912
H -2.795464 -1.257442 -1.838086
H -5.472187 0.980879 1.385561
H -5.404849 -2.832187 2.090466


