%chk=000278306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278306

0 1
O 1.487232 -0.882728 2.261654
O 4.019513 0.003005 -0.916033
O -6.110457 1.964357 0.993746
N -3.037285 -1.626513 0.479341
N -0.119319 -1.675709 0.869867
C -2.127470 -2.410623 -0.397053
C -2.402713 -1.230042 1.778770
C -0.711826 -1.805635 -0.487065
C -1.044698 -1.915026 2.008971
C -3.919564 -0.685402 -0.118908
C 1.123695 -1.081730 1.110493
C 1.984674 -0.769439 -0.092784
C -4.584517 0.261150 0.682274
C -4.232306 -0.761400 -1.502276
C 3.337599 -0.217991 0.356518
C -5.544905 1.096296 0.086910
C -5.190109 0.083584 -2.051600
C -5.863880 1.032176 -1.275390
C 5.299544 0.511506 -0.885093
C -7.123314 2.882622 0.515944
C 6.013336 0.837228 0.273899
C 5.847783 0.680823 -2.173876
C 7.310043 1.345484 0.129828
C 7.138259 1.187901 -2.282633
C 7.873688 1.521750 -1.134778
H -2.557539 -2.511607 -1.421726
H -2.083788 -3.444833 0.020223
H -3.109324 -1.525702 2.589477
H -2.272337 -0.124038 1.841095
H -0.061874 -2.460841 -1.109819
H -0.757755 -0.808507 -0.982941
H -0.578849 -1.528988 2.950993
H -1.167513 -3.013680 2.141956
H 2.145534 -1.672637 -0.721297
H 1.489169 -0.032828 -0.762207
H -4.407021 0.360122 1.748048
H -3.735150 -1.491739 -2.135577
H 3.246463 0.742447 0.892955
H 3.912592 -0.944593 0.956616
H -5.421625 0.008993 -3.115748
H -6.602452 1.681565 -1.724171
H -7.984523 2.329842 0.129859
H -6.700567 3.556387 -0.234676
H -7.383422 3.427173 1.432892
H 5.590518 0.706542 1.263879
H 5.258618 0.415321 -3.047005
H 7.881860 1.605097 1.020998
H 7.582372 1.327311 -3.268249
H 8.880910 1.917046 -1.233801


%chk=000278306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278306

0 1
O 1.770963 -0.705591 2.062205
O 4.577879 -0.102549 -1.022217
O -6.955092 1.670695 1.170997
N -2.839138 -0.574196 0.043194
N 0.015598 -0.828540 0.540614
C -1.963487 -1.295733 -0.893619
C -2.238413 -0.128430 1.317758
C -0.521362 -0.752656 -0.838095
C -0.975627 -0.945179 1.635524
C -4.202004 -0.366028 -0.224920
C 1.360786 -0.687528 0.855433
C 2.327436 -0.507820 -0.319664
C -4.961034 0.539076 0.569157
C -4.867245 -1.053014 -1.292135
C 3.750291 -0.266014 0.186491
C -6.333629 0.748072 0.308606
C -6.232127 -0.819523 -1.536355
C -6.993272 0.076503 -0.750133
C 5.951017 0.137435 -0.839249
C -8.372627 1.955071 0.944856
C 6.584237 0.223852 0.426127
C 6.704560 0.295486 -2.029483
C 7.976349 0.469097 0.485575
C 8.089863 0.539306 -1.951993
C 8.736169 0.627894 -0.693845
H -2.331807 -1.146966 -1.924316
H -1.956243 -2.391705 -0.700605
H -2.965855 -0.281230 2.138547
H -1.988260 0.954832 1.296181
H 0.105262 -1.349416 -1.525982
H -0.516514 0.296452 -1.200652
H -0.493358 -0.581250 2.558031
H -1.244231 -2.008118 1.796840
H 2.321988 -1.406026 -0.968126
H 2.016430 0.340437 -0.959291
H -4.508893 1.120449 1.376503
H -4.337072 -1.789937 -1.901920
H 3.797767 0.644090 0.814376
H 4.106495 -1.122890 0.788515
H -6.724203 -1.361380 -2.352540
H -8.054320 0.230651 -0.961603
H -8.992163 1.045113 1.067334
H -8.543414 2.385012 -0.061551
H -8.644128 2.693423 1.713971
H 6.016998 0.104305 1.353692
H 6.188271 0.224052 -2.991968
H 8.464191 0.535497 1.464768
H 8.667162 0.660746 -2.875513
H 9.813107 0.817670 -0.637020


