%chk=000239251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239251

0 1
O 4.452283 1.054472 0.422468
N 2.685617 0.457716 -0.893036
C -1.688879 0.652295 0.364370
C -0.452985 0.830860 -0.528220
C -2.844034 -0.006570 -0.401460
C 0.699066 1.490250 0.239245
C -4.078346 -0.185491 0.492491
C 1.943271 1.714792 -0.633296
C -5.235512 -0.844442 -0.271526
C -6.466449 -1.024789 0.613997
C 3.900807 0.199362 -0.250636
C 4.501222 -1.171931 -0.513741
C 3.780333 -2.254449 0.278363
H -2.012692 1.634380 0.760506
H -1.428838 0.042561 1.251257
H -0.133891 -0.151713 -0.923977
H -0.714955 1.442924 -1.413334
H -3.106627 0.605068 -1.286230
H -2.522206 -0.988494 -0.798393
H 0.966713 0.881840 1.126134
H 0.368493 2.467395 0.645357
H -3.818652 -0.796176 1.378478
H -4.402787 0.795492 0.889922
H 1.665982 2.165091 -1.611941
H 2.632275 2.437790 -0.128242
H -4.913713 -1.827214 -0.668128
H -5.498835 -0.232752 -1.156607
H 2.163200 -0.285202 -1.341303
H -7.286912 -1.495308 0.060732
H -6.250548 -1.658197 1.481899
H -6.835138 -0.064953 0.993431
H 4.501275 -1.404605 -1.596372
H 5.573884 -1.134478 -0.217717
H 2.734569 -2.368350 -0.027600
H 4.269556 -3.227969 0.146179
H 3.787452 -2.033406 1.355029


%chk=000239251-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239251

0 1
O 4.164472 0.544420 0.837598
N 2.612729 0.507661 -0.896812
C -1.757022 0.744807 0.362286
C -0.462888 0.889073 -0.470245
C -2.897026 0.026028 -0.393977
C 0.672397 1.601074 0.298308
C -4.186309 -0.126255 0.444387
C 1.973502 1.781675 -0.519427
C -5.326994 -0.845576 -0.311331
C -6.608186 -1.001484 0.536251
C 3.673584 -0.031015 -0.182392
C 4.230739 -1.354649 -0.725153
C 4.475610 -2.375905 0.407793
H -2.103389 1.751359 0.677314
H -1.528562 0.189856 1.295984
H -0.123842 -0.121048 -0.782556
H -0.687987 1.450529 -1.402280
H -3.129654 0.584573 -1.325077
H -2.548327 -0.978695 -0.713528
H 0.912298 1.040708 1.222783
H 0.325556 2.605834 0.615915
H -3.954854 -0.686091 1.374795
H -4.537054 0.876937 0.765728
H 1.766350 2.361174 -1.440593
H 2.715972 2.335199 0.081411
H -4.973489 -1.845401 -0.636914
H -5.561551 -0.282554 -1.238024
H 2.237954 -0.016462 -1.688405
H -7.408086 -1.515803 -0.027730
H -6.408327 -1.589609 1.451897
H -6.997488 -0.014736 0.851107
H 3.563683 -1.780594 -1.500022
H 5.194905 -1.125228 -1.220243
H 3.524867 -2.696771 0.870293
H 4.994430 -3.272442 0.024284
H 5.095985 -1.914793 1.194674


