%chk=000245852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245852

0 1
O 5.773568 1.278722 0.246566
O -5.770397 -1.274463 -0.236295
O 8.437539 0.802762 -0.934089
O -8.435002 -0.798608 0.940624
N 6.857009 -0.720677 -0.103023
N -6.853773 0.725317 0.111826
N 9.198245 -1.008935 0.252714
N -9.194939 1.015624 -0.242774
C 0.661711 0.381653 0.098405
C -0.658528 -0.377329 -0.088496
C 1.870938 -0.538226 -0.119780
C -1.867765 0.542477 0.130013
C 3.185441 0.227100 0.066942
C -3.182271 -0.222727 -0.057231
C 4.400892 -0.684547 -0.151269
C -4.397714 0.688744 0.161694
C 5.686219 0.100256 0.009643
C -5.683039 -0.095934 0.000189
C 8.185637 -0.189565 -0.291549
C -8.182598 0.194711 0.299795
H 0.702809 0.823564 1.113145
H 0.708220 1.237092 -0.603708
H -0.704940 -1.232911 0.613447
H -0.699714 -0.819033 -1.103323
H 1.823865 -1.392495 0.583051
H 1.828205 -0.978621 -1.135031
H -1.820602 1.397088 -0.572393
H -1.825126 0.982361 1.145490
H 3.232566 0.676368 1.079986
H 3.236073 1.087577 -0.632721
H -3.232882 -1.083723 0.641794
H -3.229413 -0.671237 -1.070610
H 4.365862 -1.535510 0.558572
H 4.359863 -1.131033 -1.167903
H -4.356757 1.134343 1.178729
H -4.362605 1.540336 -0.547379
H 6.751549 -1.736747 -0.132266
H -6.747986 1.741374 0.140549
H 10.140962 -0.635925 0.227419
H 9.014776 -1.617742 1.033546
H -10.137841 0.643052 -0.217720
H -9.011459 1.625470 -1.022780


%chk=000245852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245852

0 1
O 5.846631 1.444688 -0.507774
O -5.843353 -1.439731 0.518804
O 8.710694 0.740796 -0.863141
O -8.707625 -0.735823 0.873041
N 6.911880 -0.606920 -0.066036
N -6.908703 0.611471 0.075461
N 9.127111 -1.070902 0.545359
N -9.123791 1.074773 -0.536958
C 0.671332 0.367031 0.129051
C -0.668201 -0.361920 -0.119076
C 1.905743 -0.477554 -0.259186
C -1.902617 0.482642 0.269193
C 3.238926 0.262960 -0.017876
C -3.235788 -0.257905 0.027915
C 4.467589 -0.590684 -0.393892
C -4.464480 0.595677 0.404012
C 5.781594 0.205548 -0.332148
C -5.778411 -0.200682 0.342477
C 8.288955 -0.217119 -0.174983
C -8.285768 0.221572 0.184234
H 0.742664 0.649456 1.200189
H 0.685087 1.317287 -0.444142
H -0.681942 -1.312184 0.454103
H -0.739541 -0.644329 -1.190219
H 1.892717 -1.427477 0.316132
H 1.831415 -0.761216 -1.330265
H -1.889629 1.432571 -0.306115
H -1.828274 0.766294 1.340272
H 3.312871 0.565397 1.045621
H 3.269732 1.198330 -0.606743
H -3.266546 -1.193283 0.616774
H -3.309757 -0.560320 -1.035589
H 4.522741 -1.493920 0.247641
H 4.355249 -0.954716 -1.436897
H -4.352055 0.959721 1.447002
H -4.519756 1.498899 -0.237527
H 6.724278 -1.588704 0.152765
H -6.721166 1.593139 -0.143911
H 10.128074 -0.902244 0.465158
H 8.792229 -1.690063 1.281538
H -10.124766 0.906112 -0.456899
H -8.788746 1.693334 -1.273568


