%chk=000187741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187741

0 1
O -0.149546 1.817215 -1.560115
O -0.607003 -2.675068 -0.493961
O -0.675757 4.444385 -0.399370
N -3.317847 -2.070617 0.156355
N 2.578018 0.326333 -1.563394
C -1.172309 -0.279694 -0.802629
C -0.846656 -1.433537 0.192040
C -2.149268 -1.690008 1.022073
C 0.016636 0.330084 -1.623322
C -2.359912 -0.657107 -1.711526
C -1.533993 0.907849 0.059378
C 0.398677 -1.143900 1.059843
C -2.609690 -0.447153 1.843554
C -3.048782 -1.971562 -1.316644
C -2.237194 0.880687 1.256643
C 1.326429 0.001643 -0.999803
C 1.515196 -0.661671 0.211061
C -0.960583 2.077355 -0.464381
C 2.931917 -0.756407 0.436780
C -3.786828 -3.454219 0.479248
C -2.486526 2.118314 1.878035
C -1.214566 3.307970 0.157520
C 3.574251 -0.109785 -0.676884
C -2.001738 3.309366 1.325574
C 3.728274 -1.313195 1.457258
C 4.979944 -0.014550 -0.772765
C 5.103613 -1.217370 1.356415
C 5.722259 -0.571846 0.250359
H -1.913752 -2.509776 1.748254
H -0.027338 0.133179 -2.711113
H -2.033194 -0.736367 -2.765567
H -3.106090 0.166278 -1.689891
H 0.684563 -2.061346 1.613949
H 0.167002 -0.379423 1.834200
H -2.202076 -0.522234 2.870964
H -3.719233 -0.498944 1.951652
H -4.039652 -2.027959 -1.820531
H -2.437291 -2.829015 -1.686860
H 0.268632 -2.660215 -0.936204
H 2.710910 0.923550 -2.357711
H -4.080494 -3.496893 1.539439
H -3.044571 -4.244698 0.286430
H -4.689579 -3.674513 -0.112401
H -3.057162 2.154540 2.803287
H -2.217384 4.254191 1.819377
H 3.253969 -1.805038 2.303346
H 5.447578 0.479877 -1.617416
H -0.911898 5.245036 0.131147
H 5.739851 -1.638293 2.132207
H 6.810490 -0.521450 0.222105


%chk=000187741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187741

0 1
O -0.228123 1.771667 -1.663512
O -0.548915 -2.817194 -0.622997
O -0.804635 4.410407 -0.506737
N -3.319886 -1.979735 0.095952
N 2.604299 0.415701 -1.493173
C -1.131611 -0.374688 -0.847006
C -0.810660 -1.559009 0.116553
C -2.109746 -1.794378 0.952682
C 0.056968 0.250819 -1.648944
C -2.315307 -0.746266 -1.814959
C -1.499067 0.804588 0.051519
C 0.427085 -1.278279 1.017666
C -2.395328 -0.612950 1.934656
C -3.118331 -1.985044 -1.366852
C -2.153067 0.748946 1.292013
C 1.367107 -0.018709 -0.992091
C 1.568190 -0.734221 0.191638
C -1.011974 1.994748 -0.509354
C 2.994395 -0.742246 0.444088
C -4.201734 -3.057229 0.570024
C -2.426712 1.993698 1.915413
C -1.286210 3.235499 0.097764
C 3.619261 -0.002102 -0.626659
C -2.022344 3.210784 1.314138
C 3.808488 -1.291403 1.470128
C 5.016044 0.197541 -0.687555
C 5.201397 -1.095489 1.412007
C 5.797906 -0.358464 0.345007
H -1.924278 -2.716302 1.548212
H 0.049820 -0.010141 -2.720590
H -1.915721 -0.948258 -2.826516
H -2.982870 0.130325 -1.891935
H 0.704377 -2.227124 1.515381
H 0.178955 -0.555093 1.815225
H -1.763526 -0.702626 2.843502
H -3.444294 -0.711700 2.270477
H -4.119470 -1.952367 -1.840214
H -2.605752 -2.909040 -1.715341
H 0.372265 -2.754031 -0.989958
H 2.716235 1.038064 -2.291437
H -4.423610 -2.923903 1.645326
H -3.765919 -4.078317 0.433394
H -5.162271 -3.019203 0.023520
H -2.940699 2.021979 2.883070
H -2.248469 4.161351 1.816394
H 3.360873 -1.854844 2.296641
H 5.480961 0.762520 -1.503014
H -1.051642 5.199950 0.036038
H 5.842774 -1.511691 2.196692
H 6.885064 -0.222544 0.329730


