%chk=000218710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218710

0 1
O -3.981934 -0.158931 -0.835516
O 1.496365 -0.823625 2.629756
N 4.202689 -0.149128 0.407504
N 1.417791 0.163934 0.544701
C 3.576462 -0.017018 1.756747
C 4.418602 -1.597947 0.067893
C 5.476521 0.639201 0.315105
C 2.069273 -0.290523 1.693314
C 4.598532 -1.755715 -1.441488
C 5.169179 2.135222 0.252908
C 0.017909 0.034204 0.265581
C -2.683222 -0.135615 -0.377737
C -0.895161 -0.473879 1.202783
C -0.431610 0.458899 -1.007554
C -5.015593 -0.669216 0.063211
C -6.285377 -0.537811 -0.777583
C -2.252689 -0.560964 0.883535
C -1.777776 0.376844 -1.331881
C -7.504461 -1.025319 -0.005024
H 3.713570 1.021303 2.142168
H 4.013699 -0.688420 2.530782
H 3.518252 -2.171055 0.388690
H 5.282626 -2.041378 0.607998
H 5.997573 0.334209 -0.621757
H 6.176469 0.424237 1.151245
H 4.618403 -2.814516 -1.723050
H 5.527760 -1.296766 -1.798056
H 3.774032 -1.280701 -1.989882
H 6.077704 2.713134 0.050783
H 4.739108 2.509462 1.189363
H 4.447568 2.358185 -0.544197
H 2.000406 0.532928 -0.219026
H -0.546906 -0.807046 2.188651
H 0.273657 0.852023 -1.738184
H -5.036285 -0.042664 0.970021
H -4.777536 -1.715044 0.317927
H -6.414878 0.518924 -1.089810
H -6.164875 -1.107769 -1.721783
H -2.945669 -0.956714 1.619428
H -2.150794 0.697089 -2.302439
H -7.413229 -2.080444 0.279166
H -8.414600 -0.930580 -0.610436
H -7.664758 -0.447211 0.912845


%chk=000218710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218710

0 1
O -3.891583 -0.222701 -0.972822
O 1.537312 -0.711670 2.993208
N 4.172771 -0.151534 0.461635
N 1.513111 -0.104851 0.704344
C 3.651101 -0.171280 1.854204
C 4.442237 -1.538340 -0.033721
C 5.326059 0.777587 0.271503
C 2.117733 -0.372723 1.915494
C 4.459289 -1.647330 -1.568965
C 4.910904 2.260138 0.280034
C 0.137729 -0.150056 0.356847
C -2.581368 -0.216377 -0.463147
C -0.880410 -0.484664 1.285724
C -0.222619 0.152973 -0.986241
C -4.984027 -0.570421 -0.047396
C -6.288002 -0.511841 -0.846985
C -2.231510 -0.517546 0.876116
C -1.566105 0.121203 -1.393098
C -7.509825 -0.867033 0.028084
H 3.867986 0.793973 2.347201
H 4.112941 -0.961862 2.484360
H 3.635489 -2.185324 0.358232
H 5.399682 -1.929011 0.388394
H 5.782761 0.545213 -0.706684
H 6.114112 0.596953 1.042251
H 4.608993 -2.700240 -1.870256
H 5.271448 -1.053484 -2.025157
H 3.499985 -1.300390 -1.993215
H 5.793693 2.903620 0.109959
H 4.461102 2.563177 1.242783
H 4.173677 2.459383 -0.517538
H 2.222571 0.134607 -0.015444
H -0.601982 -0.716615 2.316231
H 0.555920 0.415474 -1.713544
H -5.003637 0.151429 0.796676
H -4.816590 -1.588784 0.363594
H -6.401185 0.503657 -1.270230
H -6.212495 -1.209429 -1.701928
H -2.996097 -0.779446 1.613426
H -1.852243 0.352795 -2.423504
H -7.426661 -1.890344 0.440308
H -8.441549 -0.817940 -0.562655
H -7.613923 -0.167150 0.878623


