%chk=000250559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250559

0 1
O 5.110337 0.064551 0.997660
O -5.109134 0.062494 -1.001265
N 3.590416 -0.447215 -0.622752
N -3.591077 -0.436457 0.624884
C 0.682678 -1.684709 -0.341793
C -0.685030 -1.680373 0.355860
C 1.828033 -1.670164 0.677099
C -1.830350 -1.674246 -0.663128
C 3.213800 -1.730399 0.016149
C -3.216191 -1.726231 -0.001644
C 4.518829 0.406030 -0.016199
C -4.517675 0.412565 0.009686
C 4.741740 1.702343 -0.723437
C -4.738836 1.715893 0.704473
C 5.452737 2.669572 -0.145919
C -5.447830 2.678809 0.117364
H 0.760963 -0.809085 -1.014020
H 0.768798 -2.575750 -0.994017
H -0.762137 -0.798109 1.019491
H -0.772353 -2.564870 1.016776
H 1.727816 -2.530519 1.368979
H 1.759199 -0.768804 1.318737
H -1.760342 -0.779261 -1.313511
H -1.731258 -2.541412 -1.346620
H 3.985094 -1.984542 0.786856
H 3.252156 -2.531272 -0.754788
H -3.987825 -1.986719 -0.769887
H -3.255634 -2.519595 0.776962
H 3.006962 -0.139308 -1.390177
H -3.007535 -0.122245 1.389681
H 4.313114 1.806860 -1.718821
H -4.310619 1.829125 1.699080
H 5.649395 3.625551 -0.613825
H 5.892284 2.561123 0.844173
H -5.643104 3.639531 0.576042
H -5.886919 2.561739 -0.871949


%chk=000250559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250559

0 1
O 4.511691 0.523899 1.310023
O -4.511467 0.517198 -1.316610
N 3.593985 -0.545280 -0.546845
N -3.594544 -0.536496 0.549500
C 0.708945 -1.755334 -0.296897
C -0.712644 -1.749181 0.309890
C 1.821500 -1.769357 0.773540
C -1.825505 -1.777349 -0.759936
C 3.256140 -1.773909 0.191413
C -3.259875 -1.772937 -0.177075
C 4.199685 0.540468 0.076894
C -4.198380 0.544646 -0.083953
C 4.455076 1.711359 -0.825392
C -4.450256 1.724534 0.807567
C 5.042754 2.841907 -0.359304
C -5.034780 2.852464 0.331292
H 0.824160 -0.860760 -0.943303
H 0.819863 -2.641479 -0.957880
H -0.826079 -0.844416 0.942223
H -0.825196 -2.624719 0.984628
H 1.709309 -2.670836 1.410389
H 1.719907 -0.892621 1.441926
H -1.723507 -0.909978 -1.440382
H -1.714233 -2.687657 -1.384241
H 3.985110 -1.858186 1.016345
H 3.390832 -2.639500 -0.485668
H -3.989513 -1.863601 -1.000736
H -3.396105 -2.631558 0.508506
H 3.341649 -0.473003 -1.533425
H -3.341244 -0.455391 1.535151
H 4.152009 1.629077 -1.879239
H -4.147213 1.651053 1.862078
H 5.236384 3.704648 -1.005149
H 5.337368 2.901899 0.695099
H -5.225762 3.721610 0.969297
H -5.329561 2.903689 -0.723526


