%chk=000258686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258686

0 1
O -2.468224 1.901483 0.551906
O 2.375820 -2.004797 0.559512
O -3.537735 0.970794 2.316725
O -5.511216 0.763479 -1.925307
O 6.209726 1.680892 -0.900458
N -3.380326 0.297221 -1.268291
N 1.081356 -0.786491 2.736531
N 0.971676 -2.494300 -1.822969
C -3.286166 -1.452026 0.498231
C -3.788491 -0.048837 0.101352
C -1.782176 -1.558705 0.495985
C -1.127503 -2.027537 -0.648648
C -1.071675 -1.175882 1.637498
C 0.337277 -1.253264 1.647475
C 0.280445 -2.118310 -0.662251
C -3.280870 0.969580 1.135653
C 0.998993 -1.748544 0.498379
C -4.324247 0.749112 -2.202901
C 3.231681 -0.971164 0.156210
C -1.895419 2.946005 1.407029
C -3.753289 1.157787 -3.529188
C 4.591718 -1.330692 0.253456
C 2.818664 0.281693 -0.294854
C -2.946619 3.989074 1.718477
C 5.553481 -0.402280 -0.114161
C 3.789524 1.220304 -0.666651
C 5.139442 0.869749 -0.572793
C 5.918549 3.012750 -1.383504
H -3.733017 -2.199584 -0.192455
H -3.689501 -1.707078 1.504379
H -4.923303 -0.030911 0.158197
H -1.698308 -2.317572 -1.523970
H -1.601679 -0.806749 2.513108
H -2.376937 0.348701 -1.437437
H 2.052056 -1.073357 2.782416
H 0.622798 -0.740632 3.633293
H 0.482850 -3.075009 -2.486454
H 1.946438 -2.747797 -1.703066
H -1.484573 2.466527 2.313301
H -1.084408 3.318856 0.755753
H -3.115437 2.048624 -3.445308
H -4.569668 1.409812 -4.226572
H -3.160013 0.362423 -3.998860
H 4.864191 -2.321415 0.612151
H 1.759343 0.528500 -0.357620
H -2.512882 4.860521 2.222145
H -3.727727 3.580643 2.378822
H -3.449447 4.341802 0.808555
H 6.616806 -0.628643 -0.058229
H 3.479091 2.198478 -1.019596
H 6.926224 3.412514 -1.557871
H 5.396299 3.591092 -0.616200
H 5.350605 2.964358 -2.316822


%chk=000258686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258686

0 1
O -2.613887 2.144075 0.627497
O 2.437675 -2.185903 0.495425
O -3.585717 0.957688 2.382898
O -5.234025 1.215435 -1.973254
O 6.205527 1.720193 -1.066669
N -3.217711 0.320994 -1.236718
N 1.202762 -1.143111 2.785685
N 0.918048 -2.845488 -1.746900
C -3.280927 -1.404206 0.578560
C -3.707099 0.023426 0.104815
C -1.771840 -1.618250 0.561546
C -1.147930 -2.140489 -0.599166
C -1.001108 -1.280529 1.698169
C 0.413391 -1.446104 1.682123
C 0.265968 -2.316459 -0.637717
C -3.307028 1.068809 1.165006
C 1.025119 -1.938729 0.499812
C -4.015970 0.929254 -2.191672
C 3.309139 -1.127816 0.084468
C -2.250515 3.242906 1.578914
C -3.334928 1.225644 -3.523987
C 4.688934 -1.442742 0.077414
C 2.862452 0.153898 -0.291661
C -3.410377 4.231521 1.722213
C 5.623130 -0.467698 -0.311898
C 3.803084 1.135883 -0.683981
C 5.184552 0.826216 -0.695416
C 5.802565 3.066704 -1.473156
H -3.780042 -2.130257 -0.088058
H -3.681809 -1.542328 1.597750
H -4.813396 0.066636 0.048923
H -1.756143 -2.454823 -1.455952
H -1.494481 -0.905288 2.601919
H -2.229490 0.138225 -1.425675
H 2.195541 -1.360478 2.771437
H 0.781611 -0.803993 3.644508
H 0.393892 -3.160024 -2.556814
H 1.914855 -3.037895 -1.694893
H -1.981789 2.790731 2.549936
H -1.364974 3.703233 1.112281
H -3.309342 2.318730 -3.678019
H -3.937834 0.794700 -4.341200
H -2.304976 0.833818 -3.587690
H 5.010474 -2.445135 0.376511
H 1.792898 0.385894 -0.278077
H -3.098596 5.083815 2.354362
H -4.279207 3.748069 2.198894
H -3.717533 4.623148 0.737455
H 6.695272 -0.684859 -0.326979
H 3.443343 2.127544 -0.973705
H 6.740275 3.586367 -1.719159
H 5.286150 3.599993 -0.650539
H 5.146213 3.040252 -2.365462


