%chk=000251429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251429

0 1
O -2.680256 2.097308 -0.856453
O 2.251179 3.194205 0.921141
O 0.133670 2.784463 1.025520
O 4.838601 -2.108560 -0.789631
O 5.465566 -0.096743 -0.295136
N -0.816731 0.445229 0.372165
N 1.292784 2.452060 0.799655
N 4.614470 -0.955014 -0.456526
N -3.702768 0.892274 -2.477664
C 0.501144 0.108887 0.187492
C -1.909208 -0.491855 0.387882
C 1.544852 1.078545 0.368402
C -3.064413 -0.216458 -0.376554
C 0.880166 -1.215989 -0.216048
C 2.888512 0.718143 0.150194
C 3.214909 -0.577908 -0.234158
C -1.855498 -1.631895 1.208785
C 2.194233 -1.551070 -0.420928
C -4.164962 -1.079081 -0.282035
C -2.955556 -2.487645 1.272035
C -4.110556 -2.212511 0.530974
C -3.121178 1.017699 -1.221374
H -1.091827 1.467790 0.468735
H 0.102612 -1.961833 -0.391023
H 3.683999 1.474561 0.291261
H -0.969973 -1.832897 1.814655
H 2.484318 -2.563075 -0.735797
H -5.078691 -0.857526 -0.837991
H -2.917191 -3.370456 1.913986
H -4.971444 -2.878260 0.596459
H -3.995058 0.016226 -2.869603
H -3.742302 1.697785 -3.087319


%chk=000251429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251429

0 1
O -2.533330 2.094064 -1.027820
O 2.258669 3.189037 1.052484
O 0.094296 2.868983 0.413378
O 5.069227 -2.220931 -0.359419
O 5.644943 -0.059650 0.116584
N -0.773403 0.384902 0.065300
N 1.309396 2.440113 0.602690
N 4.771209 -0.986831 -0.101496
N -4.238531 1.085576 -2.220806
C 0.570413 0.058836 0.037303
C -1.866295 -0.510747 0.187068
C 1.610136 1.035890 0.280483
C -3.119964 -0.190538 -0.435205
C 1.014354 -1.272467 -0.276814
C 2.976251 0.691401 0.243398
C 3.344758 -0.626198 -0.054262
C -1.773895 -1.684160 0.985822
C 2.363385 -1.614756 -0.329906
C -4.228298 -1.053521 -0.232143
C -2.882033 -2.534564 1.153535
C -4.119699 -2.224800 0.542057
C -3.264394 1.070171 -1.240477
H -1.025255 1.391073 -0.057568
H 0.264384 -2.025118 -0.529706
H 3.732597 1.452733 0.450560
H -0.842481 -1.901489 1.516184
H 2.685474 -2.624773 -0.596174
H -5.203693 -0.783571 -0.652486
H -2.787257 -3.423193 1.786363
H -4.989783 -2.871573 0.690530
H -4.750823 0.252455 -2.501514
H -4.366957 1.950043 -2.746844


