%chk=000217607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217607

0 1
O 3.763297 -0.556992 0.950926
O 0.329691 1.532537 0.295535
O -2.549136 1.315061 0.263353
N 1.749209 -0.613961 -1.122106
N -2.412464 -0.807939 -0.573088
N -1.719681 -1.861552 -1.037771
C 2.570030 0.601898 -0.848003
C 2.500251 -1.839228 -0.702169
C 3.057295 0.655908 0.608303
C 2.969237 -1.743366 0.759669
C 0.371112 -0.588142 -0.787719
C -0.348131 0.466603 -0.250434
C -0.410222 -1.766692 -1.160971
C -1.812770 0.426879 -0.132346
C -3.886001 -1.027411 -0.391239
C -0.263158 2.867478 0.086326
C -4.195347 -1.554076 1.004640
C 0.857072 3.804177 0.489982
H 1.987721 1.517554 -1.098008
H 3.436923 0.563798 -1.546331
H 3.382658 -1.920373 -1.379530
H 1.892000 -2.752804 -0.863773
H 3.828366 1.428350 0.768670
H 2.216970 0.802559 1.314440
H 2.122478 -1.731199 1.468083
H 3.677504 -2.547345 1.027958
H 0.103792 -2.635916 -1.593701
H -4.385507 -0.042244 -0.559775
H -4.243582 -1.735259 -1.172755
H -0.563542 2.966585 -0.967448
H -1.150248 2.937601 0.745771
H -3.694663 -2.510591 1.201236
H -3.874558 -0.847180 1.782892
H -5.273071 -1.711668 1.132384
H 0.490106 4.833474 0.589124
H 1.283900 3.510058 1.460016
H 1.677471 3.806818 -0.236742


%chk=000217607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217607

0 1
O 4.563022 -0.712915 0.006472
O 0.125691 1.631541 0.423057
O -2.785586 1.348131 0.243790
N 1.678729 -0.658001 -0.268617
N -2.497540 -0.814148 -0.611297
N -1.760984 -1.931496 -0.913840
C 2.516104 0.465524 -0.763982
C 2.408628 -1.945434 -0.233883
C 3.819849 0.560070 0.042669
C 3.719912 -1.779194 0.561514
C 0.280208 -0.635356 -0.381935
C -0.516745 0.497935 -0.074901
C -0.431795 -1.825951 -0.794888
C -1.976038 0.425257 -0.124501
C -3.968959 -0.985499 -0.688435
C -0.443565 3.000132 0.182514
C -4.557112 -1.506632 0.637088
C 0.523165 3.977021 0.844373
H 1.951516 1.403167 -0.664568
H 2.759271 0.295971 -1.836617
H 2.645530 -2.303740 -1.261396
H 1.794359 -2.710609 0.272336
H 4.499263 1.309459 -0.395299
H 3.589956 0.830423 1.095318
H 3.479341 -1.554723 1.623363
H 4.324900 -2.699370 0.505282
H 0.108836 -2.729810 -1.083253
H -4.397173 0.000198 -0.931592
H -4.157681 -1.692761 -1.512425
H -0.508240 3.157144 -0.912531
H -1.459048 3.037853 0.604651
H -4.110919 -2.480498 0.905024
H -4.369003 -0.786365 1.451128
H -5.649653 -1.639326 0.537680
H 0.152379 5.010120 0.713300
H 0.600079 3.771981 1.925912
H 1.534305 3.913303 0.403887


