%chk=000272279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272279

0 1
O 2.079121 1.848152 -0.710580
O 0.486695 2.041749 0.888278
N -1.824253 1.793540 -2.313786
C -0.274522 -0.741683 -0.395932
C 0.855656 -1.213651 0.553644
C -0.493012 -1.791019 -1.521627
C 0.160487 0.598873 -1.111222
C -1.556164 -0.481000 0.397248
C 2.212410 -1.445319 -0.120462
C -0.857263 -3.179459 -1.005161
C 3.241314 -1.988287 0.882476
C 0.851144 1.568572 -0.156140
C -2.819101 -0.722577 -0.167552
C -1.496552 0.038846 1.700295
C -0.952649 1.270373 -1.765829
C 4.606905 -2.193387 0.231220
C -3.986942 -0.483305 0.561437
C -2.663109 0.278514 2.430673
C -3.913501 0.011911 1.866259
C 2.985433 2.737991 0.019367
C 3.632770 1.984491 1.161325
H 0.978941 -0.486873 1.385529
H 0.519620 -2.150061 1.046659
H -1.287179 -1.434767 -2.210841
H 0.425373 -1.865652 -2.138899
H 0.916783 0.324349 -1.912385
H 2.107177 -2.154734 -0.964462
H 2.591548 -0.500503 -0.561712
H -1.699174 -3.148122 -0.301082
H -0.017115 -3.654188 -0.484157
H -1.146069 -3.841028 -1.830258
H 3.336292 -1.294195 1.740604
H 2.883767 -2.946223 1.309016
H -2.904407 -1.090481 -1.191058
H -0.530414 0.290466 2.146199
H 4.557877 -2.916404 -0.591323
H 5.337758 -2.572338 0.954807
H 5.005903 -1.259163 -0.179859
H -4.956706 -0.676067 0.105622
H -2.594772 0.684178 3.438717
H -4.822585 0.198524 2.433875
H 3.694140 3.012761 -0.783453
H 2.412294 3.619483 0.357895
H 4.445877 2.564521 1.614256
H 2.905441 1.761488 1.956001
H 4.051562 1.024905 0.827976


%chk=000272279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272279

0 1
O 2.113510 1.750217 -0.487069
O -0.025531 2.495873 0.089588
N -1.539142 1.267970 -3.145421
C -0.177821 -0.779614 -0.467455
C 1.052991 -1.209679 0.398186
C -0.555134 -1.919529 -1.475505
C 0.272435 0.484947 -1.354352
C -1.394028 -0.413492 0.425973
C 2.305647 -1.720681 -0.349174
C -0.930335 -3.260877 -0.811433
C 3.444443 -2.084239 0.632937
C 0.715874 1.687623 -0.501514
C -2.685376 -0.243080 -0.145509
C -1.273061 -0.233883 1.828967
C -0.745498 0.921305 -2.325393
C 4.705451 -2.615322 -0.081028
C -3.801719 0.096180 0.647192
C -2.388930 0.100959 2.628247
C -3.661664 0.269853 2.042346
C 2.720555 2.856307 0.323751
C 2.869984 2.440048 1.789318
H 1.368082 -0.362831 1.038486
H 0.713179 -2.004334 1.090851
H -1.399290 -1.587434 -2.106992
H 0.292477 -2.077099 -2.171172
H 1.153612 0.160177 -1.938338
H 2.059943 -2.615679 -0.953832
H 2.686942 -0.950615 -1.048661
H -1.766756 -3.134768 -0.101457
H -0.079973 -3.704620 -0.262841
H -1.245645 -3.990155 -1.579611
H 3.706466 -1.187134 1.231624
H 3.077981 -2.843460 1.354170
H -2.835797 -0.364163 -1.222494
H -0.304484 -0.353354 2.322201
H 4.477961 -3.529664 -0.660846
H 5.504258 -2.864456 0.641209
H 5.108897 -1.863889 -0.785737
H -4.779927 0.227762 0.171397
H -2.259645 0.232722 3.708682
H -4.527702 0.533484 2.659623
H 3.693789 3.024502 -0.163618
H 2.081088 3.750521 0.221950
H 3.394951 3.236784 2.348035
H 1.882656 2.288405 2.257202
H 3.461084 1.511611 1.879115


