%chk=000209306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209306

0 1
O -3.512256 -1.460270 0.482406
N -2.292391 0.479862 0.374206
N -4.076218 -0.000641 -1.195105
C 0.065385 -0.017905 1.125694
C 0.468725 1.240913 0.388819
C -1.432015 0.062369 1.507870
C 0.502656 -1.271003 0.384950
C -0.462532 2.062782 -0.257987
C 1.831220 1.610392 0.388156
C -1.941012 1.756675 -0.286438
C 2.819983 0.698025 1.054121
C 1.841878 -1.485102 -0.003516
C 3.020915 -0.565762 0.212786
C -0.038495 3.241828 -0.896862
C 2.246524 2.783984 -0.246390
C -0.438340 -2.283571 0.124212
C 1.308038 3.599294 -0.888606
C 2.178524 -2.677957 -0.679424
C -3.273230 -0.403299 -0.096899
C -0.092391 -3.458972 -0.539355
C 1.227259 -3.656366 -0.953396
H 0.622194 -0.038480 2.110921
H -1.796007 -0.916819 1.908017
H -1.556779 0.810397 2.325110
H -2.496808 2.579475 0.232469
H -2.288605 1.756023 -1.346695
H 3.797190 1.201734 1.198318
H 2.475570 0.431543 2.077260
H 3.843462 -1.156864 0.674390
H 3.398252 -0.259285 -0.790694
H -0.762320 3.880709 -1.398578
H 3.297539 3.064905 -0.246394
H -1.478678 -2.175122 0.454267
H 1.632466 4.513525 -1.383270
H 3.208380 -2.842677 -0.994644
H -0.849318 -4.217863 -0.728837
H 1.509835 -4.566410 -1.477863
H -4.697401 -0.720356 -1.550369
H -3.688797 0.591688 -1.913351


%chk=000209306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209306

0 1
O -3.668756 -1.446441 0.611244
N -2.250472 0.385650 0.256808
N -4.232526 0.102582 -1.023504
C 0.072335 -0.043106 1.099954
C 0.495314 1.237326 0.376269
C -1.431861 0.048184 1.435645
C 0.531974 -1.316982 0.353410
C -0.450994 2.031144 -0.316300
C 1.859462 1.644237 0.425853
C -1.912418 1.615834 -0.471643
C 2.868101 0.729224 1.093757
C 1.907991 -1.533561 0.025717
C 3.088855 -0.581977 0.293755
C -0.040243 3.243364 -0.925865
C 2.253295 2.852377 -0.190186
C -0.416628 -2.318677 0.010613
C 1.304060 3.658027 -0.861590
C 2.266983 -2.741685 -0.632082
C -3.393246 -0.369617 -0.013294
C -0.037335 -3.509463 -0.643142
C 1.318552 -3.726180 -0.969963
H 0.584795 -0.049538 2.084647
H -1.830386 -0.888396 1.854573
H -1.557277 0.841240 2.202777
H -2.562242 2.463538 -0.152523
H -2.094321 1.452073 -1.553847
H 3.843118 1.244774 1.175726
H 2.557268 0.484339 2.128351
H 3.878791 -1.165196 0.809055
H 3.515431 -0.301115 -0.691289
H -0.777969 3.860661 -1.454837
H 3.303741 3.163822 -0.145200
H -1.473888 -2.183062 0.258591
H 1.612853 4.597846 -1.332169
H 3.324146 -2.906029 -0.880358
H -0.798082 -4.258615 -0.888967
H 1.632902 -4.646304 -1.475379
H -5.044071 -0.474390 -1.229023
H -4.124852 0.995488 -1.496283


