%chk=000180334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180334

0 1
O 2.071905 1.544822 0.420321
O 1.012392 -0.536894 0.464269
O 5.305651 -0.857543 1.156163
O 3.064356 -0.372995 3.019561
O 5.341961 1.521344 -0.724907
O 1.108191 1.506742 -2.245115
O 2.454039 -0.275334 -2.475074
N -2.991971 2.192794 -0.624147
N -4.409511 0.393280 -0.408565
N -0.642586 -2.647707 0.827200
N -5.385522 2.579748 -1.115952
C 4.350097 0.206837 1.059117
C 3.049831 -0.431388 1.588334
C 4.245297 0.668461 -0.410159
C 1.799819 0.392869 1.219244
C 2.921847 1.405891 -0.717520
C 2.177093 0.731296 -1.875571
C -0.342483 -0.272346 0.308730
C -2.203277 1.093341 -0.259023
C -1.202278 -1.442013 0.454269
C -0.807431 0.970078 -0.035528
C -3.098532 -0.016177 -0.143470
C -2.600560 -1.308436 0.211205
C -4.329248 1.720118 -0.697279
C -3.424632 -2.460246 0.342668
C -2.522210 3.558604 -0.868236
C -2.852659 -3.658833 0.705360
C -1.446299 -3.708069 0.944358
H 4.676913 1.038189 1.726500
H 2.953192 -1.494741 1.245961
H 4.407476 -0.199200 -1.110057
H 1.255160 0.827901 2.087128
H 3.110071 2.480633 -0.986579
H 6.156814 -0.591786 0.736166
H 3.688434 -1.054113 3.368937
H 5.362134 2.316220 -0.146954
H -0.135285 1.821507 -0.163338
H -4.496233 -2.361570 0.150674
H 0.557048 1.078541 -2.960264
H -2.440726 4.124791 0.077260
H -1.529161 3.548940 -1.354610
H -3.224910 4.092546 -1.538062
H -3.447124 -4.563067 0.813945
H -0.970962 -4.651593 1.241227
H -5.740079 3.148281 -0.346576
H -6.162040 2.042373 -1.509813


%chk=000180334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180334

0 1
O 2.130380 1.566893 0.145196
O 0.981444 -0.560480 0.402815
O 5.440587 -0.310368 1.689063
O 2.924396 -0.297274 3.044343
O 5.584260 1.435766 -0.721228
O 1.258736 0.791837 -2.464424
O 2.921147 -0.831324 -2.375626
N -3.108907 2.247301 -0.389205
N -4.534041 0.444319 -0.283564
N -0.693853 -2.716335 0.512839
N -5.498510 2.621732 -0.716429
C 4.320351 0.476032 1.166904
C 3.046735 -0.269154 1.587588
C 4.406561 0.620039 -0.361517
C 1.791527 0.451169 1.055334
C 3.078258 1.192016 -0.929871
C 2.437958 0.243115 -1.965026
C -0.403271 -0.306293 0.242705
C -2.304567 1.114584 -0.138809
C -1.263665 -1.473052 0.292786
C -0.904634 0.983655 0.023458
C -3.203438 0.016771 -0.095868
C -2.697801 -1.301383 0.116143
C -4.433122 1.778739 -0.453242
C -3.523718 -2.465453 0.169168
C -2.653400 3.622068 -0.590029
C -2.933631 -3.712773 0.387874
C -1.514165 -3.785524 0.555089
H 4.315085 1.487024 1.632538
H 3.080513 -1.295291 1.169143
H 4.621627 -0.359637 -0.819221
H 1.237743 0.941660 1.874082
H 3.270752 2.148290 -1.448741
H 6.276190 0.026639 1.274844
H 3.735074 -0.744934 3.399474
H 5.479012 2.342163 -0.328319
H -0.215600 1.828005 -0.062705
H -4.604012 -2.348503 0.038238
H 0.827834 0.142902 -3.084316
H -2.693507 4.216192 0.342790
H -1.612341 3.614413 -0.951721
H -3.271939 4.114324 -1.361713
H -3.534035 -4.626771 0.435891
H -1.029103 -4.753618 0.731301
H -5.460293 3.613652 -0.499751
H -6.410612 2.178963 -0.796484


