%chk=000214809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214809

0 1
O 0.796825 -0.930923 -0.454098
O 2.908000 -2.750259 -0.631310
O -5.048130 1.497565 0.445795
N 3.925536 0.575429 0.591318
N -5.401657 0.263893 -1.415824
C 3.597708 -0.428918 -0.457444
C 2.938596 -1.631031 0.257610
C 3.612305 1.990464 0.188718
C 1.522516 -1.308081 0.760994
C 4.458651 2.947888 1.038592
C 2.114102 2.240522 0.403474
C -0.510497 -0.540161 -0.335404
C -1.093233 -0.199955 -1.576992
C -1.230562 -0.463465 0.865414
C -3.162720 0.282068 -0.408759
C -2.418753 0.212094 -1.600245
C -2.559249 -0.039361 0.816094
C -4.578640 0.743502 -0.390896
H 2.891959 -0.020827 -1.214853
H 4.486086 -0.787564 -1.018780
H 3.568149 -2.001479 1.102051
H 3.853415 2.167369 -0.893884
H 4.908617 0.485131 0.863776
H 1.531459 -0.449800 1.458463
H 1.027086 -2.189054 1.200218
H 4.180998 3.990470 0.845477
H 4.309982 2.770429 2.111728
H 5.528622 2.850798 0.830597
H 1.501400 1.527926 -0.164581
H 1.829635 3.249985 0.092017
H 1.838918 2.126643 1.458891
H 2.258273 -2.599629 -1.353866
H -0.496930 -0.260452 -2.483851
H -0.777886 -0.714783 1.819220
H -2.878651 0.495341 -2.548975
H -3.138745 0.049313 1.740336
H -5.125453 -0.469378 -2.041261
H -6.380432 0.508191 -1.416161


%chk=000214809-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214809

0 1
O 0.703148 -1.004051 -0.518471
O 2.894675 -2.708650 -0.749000
O -5.380003 0.700106 0.915643
N 3.819576 0.669518 0.673714
N -5.610746 0.394175 -1.365458
C 3.606856 -0.352802 -0.374295
C 2.906689 -1.601348 0.217576
C 3.970059 2.080775 0.214240
C 1.488697 -1.287062 0.707489
C 4.598967 2.904452 1.356452
C 2.600519 2.666907 -0.194473
C -0.646976 -0.666815 -0.383037
C -1.338231 -0.404695 -1.593124
C -1.324632 -0.569595 0.859134
C -3.399347 0.033048 -0.324480
C -2.699914 -0.059377 -1.559444
C -2.687929 -0.218362 0.874514
C -4.852554 0.400498 -0.201765
H 2.958443 0.073209 -1.160463
H 4.544476 -0.693783 -0.868497
H 3.494908 -1.982015 1.073102
H 4.651919 2.139596 -0.670993
H 4.593923 0.405242 1.298769
H 1.511623 -0.395588 1.361930
H 1.046264 -2.157960 1.227545
H 4.696697 3.965016 1.065366
H 3.962979 2.848108 2.259221
H 5.608111 2.530414 1.617012
H 2.109836 2.060123 -0.976673
H 2.720879 3.692821 -0.589131
H 1.927509 2.699326 0.681460
H 2.185107 -2.507071 -1.413721
H -0.790710 -0.469120 -2.538326
H -0.804220 -0.759875 1.801557
H -3.196527 0.166738 -2.510413
H -3.233778 -0.126246 1.819223
H -5.255536 0.072433 -2.262316
H -6.593458 0.651809 -1.286271


