%chk=000221508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221508

0 1
O 0.175547 2.070069 -2.082459
N 2.622441 1.270013 -0.759529
N -3.807135 1.204358 0.640433
C 2.685474 -0.311952 1.296664
C 1.286925 1.286389 -0.055708
C 1.278167 0.303283 1.138589
C 3.070692 -1.100354 0.010552
C 3.707977 0.834823 1.473947
C 2.967290 -0.124386 -1.196220
C 3.667057 1.736897 0.217035
C 0.174245 1.010931 -1.103977
C 2.193139 -2.305875 -0.180519
C -1.211688 1.053025 -0.494697
C -1.916469 -0.157879 -0.175399
C 2.628751 -3.559053 -0.075044
C -1.815630 2.265847 -0.255749
C -3.217486 -0.032479 0.394103
C -1.401990 -1.472256 -0.401913
C -3.126102 2.299423 0.318261
C -3.970517 -1.206685 0.730961
C -2.140522 -2.581888 -0.076902
C -3.439583 -2.448126 0.497617
H 2.707981 -0.990414 2.175030
H 1.132030 2.331829 0.321674
H 0.524593 -0.493819 1.017123
H 0.987916 0.834018 2.062922
H 4.134875 -1.425405 0.112599
H 4.721490 0.429600 1.631522
H 3.470536 1.418278 2.379960
H 3.929006 -0.085393 -1.746643
H 2.208172 -0.462737 -1.931688
H 3.447299 2.789231 0.487721
H 4.647317 1.743814 -0.300786
H 0.353050 0.057652 -1.656963
H 1.145052 -2.083256 -0.416290
H 1.104034 2.272586 -2.353959
H 1.991669 -4.420968 -0.212894
H 3.649629 -3.826998 0.156340
H -1.316437 3.198131 -0.525531
H -0.402283 -1.582779 -0.838145
H -3.611760 3.265050 0.510302
H -4.962178 -1.072513 1.167410
H -1.749667 -3.583255 -0.252723
H -3.998408 -3.350478 0.744175


%chk=000221508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221508

0 1
O 0.338616 1.844826 -2.123198
N 2.477678 1.174464 -0.709521
N -3.913352 1.610428 0.619556
C 2.782576 -0.457020 1.282009
C 1.152914 0.957403 -0.014968
C 1.269528 -0.200972 1.020460
C 3.449069 -1.069715 0.003409
C 3.488399 0.897968 1.579202
C 3.042953 -0.124813 -1.196121
C 3.425225 1.781730 0.280817
C 0.055183 0.816291 -1.122679
C 3.066045 -2.507742 -0.258533
C -1.342029 1.031284 -0.555478
C -2.212423 -0.051262 -0.160042
C 3.936229 -3.544369 -0.352302
C -1.801200 2.342436 -0.382968
C -3.493388 0.297433 0.434713
C -1.905238 -1.444171 -0.329049
C -3.079496 2.583991 0.203499
C -4.387357 -0.740572 0.852275
C -2.800923 -2.435454 0.078594
C -4.049499 -2.083983 0.682204
H 2.907392 -1.148591 2.133862
H 0.938876 1.910825 0.506092
H 0.780410 -1.123478 0.657306
H 0.759151 0.073195 1.960886
H 4.547538 -1.027332 0.146229
H 4.537085 0.722175 1.883271
H 2.982331 1.403397 2.423538
H 3.917789 0.094536 -1.832622
H 2.290006 -0.612172 -1.840593
H 3.084289 2.807370 0.506822
H 4.414924 1.857253 -0.204368
H 0.131772 -0.187825 -1.591454
H 1.990587 -2.707587 -0.395886
H 1.340289 1.969804 -2.040504
H 3.596176 -4.566156 -0.554721
H 5.017377 -3.400083 -0.229366
H -1.181925 3.174659 -0.728827
H -0.965956 -1.739954 -0.808377
H -3.433843 3.612797 0.341083
H -5.337860 -0.430955 1.297604
H -2.550503 -3.491679 -0.070471
H -4.740919 -2.872080 0.999819


