%chk=000258745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258745

0 1
O 2.678773 3.280363 0.010489
O 3.957207 1.549218 0.013189
O 2.279958 -3.090209 0.007583
N -2.106629 1.563532 -0.032402
N 2.965314 -0.876901 0.006973
N 2.838762 2.070129 0.008860
C -0.705278 -0.301086 -0.009473
C -0.745549 1.153231 -0.011912
C -2.079184 -0.753805 -0.012959
C -2.918840 0.417466 -0.016897
C 0.509974 -0.957979 -0.004364
C 0.416362 1.894911 -0.005480
C 1.714441 -0.217572 0.001243
C 1.659120 1.212634 0.001510
C -2.663322 -2.025723 -0.013072
C -2.550960 2.959472 0.017384
C -4.321330 0.307873 -0.017270
C -4.050076 -2.126478 -0.014888
C -4.862866 -0.971452 -0.016676
C 3.185401 -2.284295 0.009692
C 4.640571 -2.648467 0.015407
H 0.536057 -2.057206 -0.004429
H 0.405142 2.989718 -0.005179
H -2.031365 -2.914201 -0.011586
H -2.308652 3.419385 0.993805
H -2.061491 3.551585 -0.778438
H -3.642327 3.029837 -0.133483
H -4.954083 1.188426 -0.018048
H -4.523694 -3.105948 -0.014761
H -5.947526 -1.093697 -0.017161
H 3.810119 -0.259771 0.009696
H 5.174255 -2.273515 -0.870330
H 4.754168 -3.746212 0.017498
H 5.168046 -2.270763 0.903683


%chk=000258745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258745

0 1
O 2.695730 3.315953 0.022782
O 4.029788 1.478401 0.015778
O 2.356021 -3.190468 -0.003906
N -2.105219 1.560124 -0.010981
N 2.965368 -0.912207 0.005833
N 2.835987 2.031796 0.015630
C -0.734646 -0.315550 -0.006453
C -0.768370 1.128217 -0.002986
C -2.117316 -0.761087 -0.010528
C -2.938606 0.423689 -0.009024
C 0.493220 -0.998501 -0.004251
C 0.406495 1.880219 0.005995
C 1.712322 -0.268295 0.002468
C 1.644649 1.183539 0.007621
C -2.723167 -2.039774 -0.014314
C -2.524626 2.960749 0.002015
C -4.347852 0.341242 -0.006817
C -4.129391 -2.125872 -0.015446
C -4.927587 -0.945856 -0.011245
C 3.242158 -2.285399 0.003072
C 4.736275 -2.595351 0.010123
H 0.550701 -2.088420 -0.006827
H 0.426215 2.971813 0.014763
H -2.108237 -2.946100 -0.015838
H -2.307588 3.438944 0.975885
H -2.006423 3.527047 -0.793066
H -3.607380 3.025177 -0.184528
H -4.982349 1.233146 0.001759
H -4.617588 -3.105669 -0.018003
H -6.019427 -1.038471 -0.009544
H 3.758418 -0.242973 0.012609
H 5.235667 -2.168647 -0.879032
H 4.870831 -3.686319 0.008381
H 5.226426 -2.172600 0.906282


