%chk=000257059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257059

0 1
O 2.971939 2.127189 0.007866
N 2.155147 0.368757 -1.218530
N 2.172224 0.334319 1.195210
C 0.380148 -0.971323 -0.017978
C -0.282370 -2.392333 -0.033665
C 1.310870 -0.845500 -1.262915
C 1.329247 -0.881470 1.216153
C -0.683203 0.117543 0.005681
C -1.123828 -2.652811 1.220515
C -1.142023 -2.616756 -1.282460
C 2.436046 1.026120 -0.004028
C -1.203049 0.640179 -1.190098
C -1.185478 0.604786 1.223715
C -2.191004 1.627934 -1.168272
C -2.173415 1.592577 1.245235
C -2.680076 2.108939 0.049419
H 0.550750 -3.142217 -0.050520
H 1.989362 -1.730798 -1.306710
H 0.715358 -0.852313 -2.202362
H 0.747865 -0.916788 2.163756
H 2.008825 -1.767000 1.223551
H -1.967016 -1.953753 1.295056
H -1.549743 -3.663372 1.202252
H -0.539151 -2.568247 2.141431
H -1.984988 -1.914803 -1.325568
H -1.569480 -3.626844 -1.286113
H -0.570324 -2.507606 -2.208904
H 2.182643 0.945419 -2.057496
H 2.209088 0.887731 2.049373
H -0.836499 0.280129 -2.150959
H -0.805156 0.216754 2.168175
H -2.578408 2.026084 -2.105046
H -2.547006 1.963056 2.198821
H -3.446093 2.881216 0.066314


%chk=000257059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257059

0 1
O 3.288143 2.040483 0.001012
N 2.111181 0.406047 -1.185999
N 2.128176 0.374568 1.160717
C 0.359459 -0.949025 -0.017578
C -0.284595 -2.397560 -0.032771
C 1.305180 -0.819674 -1.254342
C 1.324085 -0.853418 1.207647
C -0.717775 0.161235 0.006697
C -1.122970 -2.711369 1.230967
C -1.135932 -2.679010 -1.295458
C 2.558617 0.999643 -0.007645
C -1.258833 0.696239 -1.193309
C -1.243245 0.656369 1.230522
C -2.276198 1.675534 -1.174945
C -2.260450 1.635430 1.258000
C -2.785537 2.152219 0.053054
H 0.575035 -3.104336 -0.046397
H 1.948963 -1.726397 -1.282822
H 0.738031 -0.810730 -2.199583
H 0.771519 -0.871129 2.161448
H 1.968945 -1.759878 1.201102
H -1.990762 -2.032590 1.311642
H -1.508916 -3.745581 1.174881
H -0.534972 -2.632217 2.162943
H -2.001727 -1.995210 -1.353110
H -1.525886 -3.712625 -1.259334
H -0.556095 -2.581403 -2.230799
H 2.406083 0.877242 -2.039570
H 2.435401 0.822783 2.022275
H -0.884643 0.359157 -2.165351
H -0.856653 0.286598 2.185643
H -2.665184 2.069356 -2.120792
H -2.637037 1.997506 2.221391
H -3.570206 2.916538 0.070765


