%chk=000257234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257234

0 1
O -3.935032 0.156249 0.480195
O 4.009296 0.198727 0.382370
O -2.964285 0.316617 -1.594804
O 2.957382 0.367306 -1.652455
N -2.544910 1.892373 0.098382
N 2.530081 1.877611 0.092889
C -0.006855 1.920189 0.357485
C -1.259707 2.369869 -0.462508
C 1.246629 2.365656 -0.461620
C -0.039391 0.405639 0.518203
C 0.007902 2.664931 1.701548
C -0.302051 -0.203984 1.753049
C 0.162252 -0.411686 -0.608241
C -0.355471 -1.597949 1.861910
C 0.107916 -1.802317 -0.498807
C -0.151109 -2.401547 0.738241
C -3.095438 0.724226 -0.461291
C 3.113200 0.753194 -0.512501
C -4.670564 -1.041416 0.067691
C 4.783487 -0.950919 -0.093061
C -3.730950 -2.227115 0.015961
C 3.907876 -2.185651 -0.105552
H -1.312854 3.482132 -0.498220
H -1.174972 2.021026 -1.521582
H 1.305432 3.478622 -0.487728
H 1.158666 2.032711 -1.525687
H 0.861358 2.367730 2.322766
H -0.896783 2.474092 2.290771
H 0.072543 3.750646 1.560495
H -2.646529 2.004993 1.110296
H 2.638662 1.970262 1.105058
H -0.472234 0.393154 2.646741
H 0.372201 0.032678 -1.584611
H -0.558705 -2.054972 2.828865
H 0.265625 -2.418421 -1.383664
H -0.193344 -3.485208 0.823158
H -5.155689 -0.836938 -0.903150
H -5.417882 -1.105909 0.879527
H 5.581303 -0.983849 0.671358
H 5.196712 -0.708968 -1.088434
H -3.015359 -2.127462 -0.816921
H -3.133058 -2.309583 0.933629
H -4.273913 -3.167855 -0.123233
H 3.403800 -2.334005 0.858367
H 3.117041 -2.100915 -0.868419
H 4.487025 -3.088663 -0.327766


%chk=000257234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257234

0 1
O -4.512148 0.574096 0.330489
O 4.506066 0.608649 0.296949
O -3.227770 0.292613 -1.634409
O 3.213525 0.329424 -1.662922
N -2.540823 1.682379 0.136716
N 2.525042 1.702489 0.120557
C -0.006743 1.611236 0.380124
C -1.258274 2.072480 -0.447507
C 1.235823 2.084781 -0.454059
C 0.001158 0.075015 0.536351
C -0.006666 2.353266 1.741433
C 0.004630 -0.559365 1.804606
C 0.004722 -0.753353 -0.618005
C 0.011531 -1.968912 1.919696
C 0.011637 -2.158797 -0.510199
C 0.015047 -2.776823 0.762004
C -3.393379 0.803019 -0.495723
C 3.381186 0.833951 -0.521884
C -5.492699 -0.419528 -0.189248
C 5.491953 -0.373553 -0.234299
C -5.059286 -1.847906 0.154203
C 5.072015 -1.807700 0.101838
H -1.216756 3.175802 -0.560770
H -1.232529 1.632056 -1.459174
H 1.185059 3.188113 -0.563476
H 1.207126 1.647597 -1.467047
H 0.882689 2.104212 2.348962
H -0.890729 2.096437 2.353374
H -0.011785 3.447685 1.579261
H -2.816769 2.018258 1.059282
H 2.802728 2.034074 1.044160
H 0.002031 0.038000 2.721821
H 0.002523 -0.306532 -1.618180
H 0.014121 -2.432013 2.913284
H 0.014241 -2.769661 -1.419545
H 0.020322 -3.869341 0.847690
H -5.587351 -0.283546 -1.281171
H -6.434703 -0.140299 0.310315
H 6.434148 -0.089936 0.262414
H 5.580021 -0.229615 -1.325754
H -4.116264 -2.099807 -0.359422
H -4.915386 -1.965310 1.242350
H -5.835588 -2.564849 -0.173291
H 4.934066 -1.933318 1.189838
H 4.128790 -2.064154 -0.409126
H 5.852754 -2.516011 -0.233805


