%chk=000271094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271094

0 1
O 4.447442 1.246816 0.837635
O 3.742330 -1.344373 -0.185030
O -4.084467 1.397969 0.130378
N -1.567794 1.436751 -1.266926
N -0.526630 -2.912709 0.615865
C -0.017161 2.917149 0.037831
C 0.964484 1.780487 0.048218
C 0.526096 0.516149 -0.397985
C -0.924665 2.775919 -1.196015
C -0.912940 0.332670 -0.709706
C -1.595558 -0.843700 -0.488562
C 2.288252 1.969335 0.452378
C 1.454768 -0.528617 -0.530311
C -3.044293 -1.055054 -0.844102
C 3.197903 0.902539 0.396348
C 2.772412 -0.357048 -0.111838
C -3.966610 -0.988748 0.382310
C -0.988011 -1.972678 0.114472
C -4.272251 0.420760 0.828250
C -4.853266 0.553970 2.206355
C 5.474677 0.220453 0.862330
C 3.264556 -2.714650 -0.248915
H -0.616852 2.907205 0.972940
H 0.493988 3.899625 0.021822
H -1.715139 3.556745 -1.194615
H -0.322421 2.914614 -2.125539
H -2.599517 1.456588 -1.175935
H 2.637106 2.934499 0.817310
H 1.147796 -1.476233 -0.975603
H -3.381690 -0.322498 -1.608047
H -3.157760 -2.048260 -1.330600
H -4.923774 -1.505572 0.158998
H -3.515496 -1.566858 1.217810
H -5.658897 -0.163971 2.400741
H -4.083658 0.391398 2.975469
H -5.259975 1.563110 2.373168
H 5.649186 -0.159647 -0.150856
H 5.179091 -0.588472 1.537820
H 6.337496 0.777743 1.243328
H 4.184771 -3.281610 -0.067418
H 2.865235 -2.918990 -1.246308
H 2.518337 -2.909505 0.530234


%chk=000271094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271094

0 1
O 4.737915 1.238956 0.353202
O 3.774334 -1.442949 -0.218897
O -4.123076 1.408469 0.362018
N -1.578719 1.557044 -0.869892
N -0.618665 -2.977710 0.748640
C 0.196071 3.087934 -0.097334
C 1.125763 1.884657 -0.085459
C 0.590473 0.583601 -0.331016
C -0.909285 2.839400 -1.142619
C -0.877455 0.415007 -0.522116
C -1.575487 -0.800631 -0.363616
C 2.506875 2.027356 0.147586
C 1.483992 -0.516509 -0.392659
C -3.028605 -0.995262 -0.814276
C 3.391108 0.925075 0.144649
C 2.864102 -0.372661 -0.154637
C -4.073147 -1.036878 0.329209
C -1.003858 -1.954325 0.240430
C -4.452755 0.318982 0.915955
C -5.263453 0.315390 2.201097
C 5.624595 0.283684 1.049463
C 3.217494 -2.783288 -0.455839
H -0.270654 3.233747 0.897933
H 0.756114 4.009317 -0.339310
H -1.675352 3.632979 -1.113626
H -0.462167 2.834868 -2.157906
H -2.592629 1.572813 -0.676416
H 2.940659 3.012897 0.346980
H 1.092840 -1.500607 -0.651659
H -3.307536 -0.211596 -1.542178
H -3.094000 -1.960979 -1.351091
H -5.021317 -1.492452 -0.034366
H -3.728533 -1.701895 1.145929
H -5.998523 -0.508501 2.215671
H -4.576352 0.150016 3.054441
H -5.768509 1.283208 2.344556
H 5.839359 -0.591459 0.418156
H 5.169133 -0.050085 2.000223
H 6.540373 0.860595 1.251651
H 4.077486 -3.464856 -0.379457
H 2.773866 -2.855396 -1.467366
H 2.454628 -3.044652 0.301645


