%chk=000198498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198498

0 1
O -2.648626 2.601640 1.011796
N 1.776993 0.707250 -1.652752
N -2.124399 0.595850 0.087985
C 1.710488 0.935092 -0.165314
C -0.795769 1.111794 -0.374527
C 0.358507 0.356313 0.312248
C -0.662763 1.002613 -1.905730
C 0.719437 1.506934 -2.352455
C 3.141565 1.000291 -2.187976
C 2.883708 0.294703 0.556435
C 4.090086 -0.075600 -1.635293
C 4.020902 -0.160320 -0.137301
C 2.857363 0.207045 1.956844
C 5.097596 -0.714431 0.572403
C -2.476407 -0.779369 -0.199024
C -2.996272 1.452773 0.798431
C 3.931872 -0.343327 2.658178
C 5.053207 -0.808316 1.964295
C -4.315785 0.852109 1.239662
C -3.186508 -1.082671 -1.373157
C -2.119896 -1.794096 0.704730
C -5.149746 1.871152 2.004825
C -3.528960 -2.409915 -1.641133
C -2.469484 -3.116267 0.420284
C -3.172485 -3.426328 -0.748551
H 1.742359 2.034865 0.079754
H -0.756026 2.199775 -0.076001
H 0.321581 -0.724876 0.067501
H 0.268313 0.434467 1.410355
H -1.458714 1.581443 -2.406831
H -0.786442 -0.052313 -2.226669
H 0.831763 1.346598 -3.446805
H 0.807728 2.600462 -2.174236
H 3.511899 2.014048 -1.924314
H 3.113149 0.941278 -3.296789
H 5.122911 0.124007 -1.979035
H 3.805752 -1.066968 -2.056033
H 1.990105 0.572058 2.507159
H 5.973035 -1.073439 0.035162
H 3.896197 -0.408217 3.743370
H 5.891102 -1.239910 2.507886
H -4.131775 -0.044050 1.869965
H -4.877113 0.483591 0.354633
H -3.460728 -0.290290 -2.067503
H -1.571198 -1.551560 1.613537
H -6.106855 1.446212 2.323760
H -5.356594 2.759656 1.392001
H -4.620601 2.231549 2.897953
H -4.075353 -2.653358 -2.551968
H -2.190124 -3.909432 1.113566
H -3.440199 -4.459015 -0.964723


%chk=000198498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198498

0 1
O -2.573508 2.602009 1.068269
N 1.819536 0.718364 -1.646942
N -2.140462 0.543826 0.058055
C 1.720756 0.925339 -0.177224
C -0.808395 1.031697 -0.417589
C 0.367579 0.337347 0.309114
C -0.640364 0.909891 -1.947424
C 0.746224 1.442315 -2.363489
C 3.174506 0.981316 -2.177826
C 2.921937 0.338046 0.574516
C 4.135400 -0.087684 -1.632163
C 4.068042 -0.148312 -0.113416
C 2.916600 0.321937 1.993306
C 5.158919 -0.664839 0.630626
C -2.548640 -0.812276 -0.247148
C -2.950698 1.418603 0.802160
C 4.006022 -0.192680 2.725894
C 5.134857 -0.698605 2.040093
C -4.305651 0.869853 1.271774
C -3.320840 -1.079339 -1.405010
C -2.179099 -1.881208 0.606944
C -5.087326 1.894247 2.112908
C -3.720225 -2.400655 -1.704937
C -2.576918 -3.202656 0.303925
C -3.348987 -3.465924 -0.851377
H 1.697962 2.029597 0.047125
H -0.803239 2.103976 -0.139955
H 0.372874 -0.748879 0.103249
H 0.254164 0.488960 1.397504
H -1.431895 1.487671 -2.462092
H -0.721490 -0.147836 -2.259469
H 0.891241 1.293946 -3.449690
H 0.793744 2.546411 -2.168035
H 3.544793 2.002882 -1.906048
H 3.130361 0.927794 -3.281237
H 5.172356 0.123135 -1.957668
H 3.846359 -1.066748 -2.061842
H 2.053901 0.725254 2.536387
H 6.040023 -1.035232 0.091307
H 3.978210 -0.193789 3.821281
H 5.988356 -1.099898 2.598013
H -4.139923 -0.061745 1.847354
H -4.896994 0.564388 0.386372
H -3.602808 -0.248049 -2.060788
H -1.587897 -1.670148 1.504497
H -6.058417 1.470901 2.427756
H -5.271595 2.817281 1.537910
H -4.518217 2.183032 3.012772
H -4.317931 -2.597955 -2.601749
H -2.286182 -4.023316 0.969008
H -3.658227 -4.490745 -1.084402


