%chk=000280258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280258

0 1
O 2.114137 2.151322 -0.157964
O 3.659333 0.453729 -0.516718
N 1.224767 -1.418763 -0.107946
N -2.862830 -0.354057 1.865016
C 0.183828 -2.155182 0.688858
C -1.041253 -1.331605 0.892023
C 1.675748 -0.173317 0.587571
C -1.761909 -0.607652 -0.128586
C -2.900720 -0.006108 0.505592
C 2.258222 0.770391 -0.477797
C -1.724621 -1.159350 2.087826
C 2.384656 -2.321528 -0.376977
C -1.553935 -0.401690 -1.505645
C -3.827126 0.778568 -0.212720
C -2.465289 0.368198 -2.206837
C -3.590712 0.950703 -1.564712
C 2.694630 2.593890 1.084818
C 4.395187 1.111826 -1.567451
H 0.570493 -2.523811 1.665640
H -0.094550 -3.060772 0.094164
H 2.419011 -0.351030 1.392678
H 0.797584 0.334500 1.051413
H 1.780549 0.710207 -1.477321
H -1.496023 -1.544732 3.064246
H -3.527781 -0.085047 2.560600
H 3.196206 -1.737229 -0.852986
H 2.069317 -3.095678 -1.092824
H 2.808730 -2.811114 0.510954
H -0.678525 -0.843675 -1.983100
H -4.682292 1.225043 0.280536
H -2.327098 0.542920 -3.271282
H -4.277205 1.548811 -2.162742
H 2.734292 3.682023 0.964112
H 3.697405 2.172619 1.211699
H 2.036727 2.316484 1.912377
H 4.109634 0.691515 -2.535864
H 5.437279 0.877302 -1.326716
H 4.215935 2.192086 -1.537237


%chk=000280258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280258

0 1
O 2.269340 2.248976 0.295570
O 3.548026 0.502072 -0.767992
N 1.313906 -1.414836 0.067781
N -2.916246 -0.236609 1.727587
C 0.192999 -2.098492 0.774295
C -1.054100 -1.259526 0.876916
C 1.764737 -0.172751 0.735090
C -1.774558 -0.622023 -0.214683
C -2.938546 0.011645 0.348604
C 2.233873 0.895663 -0.267397
C -1.779874 -0.998101 2.039194
C 2.414859 -2.354126 -0.237784
C -1.543631 -0.521729 -1.612789
C -3.869283 0.724456 -0.439642
C -2.470098 0.183820 -2.404767
C -3.619741 0.800111 -1.825122
C 3.152085 2.407119 1.463073
C 3.978431 1.295258 -1.929959
H 0.491581 -2.442017 1.799654
H -0.022239 -3.016613 0.190558
H 2.573898 -0.365556 1.480180
H 0.901669 0.262803 1.270105
H 1.506719 0.984431 -1.097265
H -1.573562 -1.306678 3.062943
H -3.609153 0.089596 2.396987
H 3.216273 -1.812804 -0.763477
H 2.039368 -3.166087 -0.887455
H 2.854856 -2.821416 0.680488
H -0.649453 -0.978403 -2.048843
H -4.751295 1.203642 0.000433
H -2.308235 0.269842 -3.485225
H -4.319453 1.345654 -2.468485
H 3.267303 3.493860 1.601777
H 4.139858 1.943114 1.279931
H 2.701757 1.969756 2.376009
H 3.295789 1.134730 -2.789218
H 4.988216 0.937819 -2.185517
H 4.005726 2.373198 -1.684855


