%chk=000218439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218439

0 1
O 4.015003 -0.851499 0.310893
O 4.143694 2.022893 0.459538
O 1.565024 -1.955308 1.157702
O -1.923780 1.616111 -1.460069
O 2.945055 -0.333618 -1.618792
N 1.884415 2.070123 0.587950
N -0.518100 2.218167 0.810806
N 0.554830 0.088527 0.986416
N -1.758318 1.552250 0.823641
C 3.085357 -0.085212 1.080823
C 3.143301 1.385659 0.666406
C 0.653924 1.386877 0.750370
C 1.679574 -0.763755 1.062484
C -3.352258 0.051633 -0.284775
C -2.296002 1.087823 -0.435326
C -4.660144 0.323903 -0.706744
C -3.013330 -1.204346 0.239980
C 3.828928 -0.943970 -1.076068
C -5.639372 -0.666181 -0.587796
C -3.997909 -2.189356 0.348366
C -5.308679 -1.919631 -0.061260
C 4.873359 -1.850190 -1.607013
H 3.518306 -0.186190 2.115472
H 1.909470 3.067455 0.342563
H -0.535499 2.999774 0.123840
H -1.857089 0.939989 1.653269
H -4.907682 1.299000 -1.128457
H -1.983960 -1.417144 0.547055
H -6.659497 -0.461936 -0.910841
H -3.741222 -3.169566 0.750071
H -6.074349 -2.690709 0.026857
H 4.416262 -2.751325 -2.052512
H 5.579383 -2.189928 -0.828855
H 5.459003 -1.354118 -2.399497


%chk=000218439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218439

0 1
O 4.661554 -0.534080 0.634844
O 4.157285 2.222831 0.030530
O 2.383028 -2.171383 0.829614
O -2.874530 2.292943 -0.383060
O 3.913157 -0.544052 -1.565580
N 1.872925 1.811736 0.044410
N -0.447550 1.397570 -0.006405
N 0.921626 -0.375572 0.535716
N -1.520415 0.510073 0.093043
C 3.369966 0.069344 0.975766
C 3.212603 1.444787 0.290792
C 0.809057 0.913989 0.209732
C 2.186246 -0.935789 0.743817
C -3.946245 0.114622 -0.038819
C -2.781405 1.041848 -0.125136
C -5.237404 0.688857 -0.167360
C -3.820254 -1.287215 0.157345
C 4.797536 -0.846723 -0.735390
C -6.386993 -0.123335 -0.095109
C -4.972875 -2.096838 0.228498
C -6.258149 -1.518069 0.104458
C 6.093649 -1.566414 -0.989014
H 3.448497 0.242543 2.066386
H 1.731989 2.733667 -0.381577
H -0.751760 2.353352 -0.237559
H -1.219542 -0.444855 0.328776
H -5.309323 1.769976 -0.323701
H -2.839031 -1.768195 0.245605
H -7.380116 0.327377 -0.194337
H -4.869294 -3.176763 0.377122
H -7.150688 -2.150730 0.160107
H 6.011525 -2.602441 -0.613820
H 6.918990 -1.078905 -0.445360
H 6.303640 -1.587956 -2.067838


