%chk=000028782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000028782

0 1
O 0.457853 1.156927 1.669464
O -0.759892 -0.626658 1.053366
N -2.202878 0.230324 -0.699855
N 2.162978 -1.567039 0.601927
N -2.954257 -1.285409 1.012472
N -2.459597 1.022048 1.604515
C 0.672080 -0.873881 -1.244316
C 0.005881 0.267577 -2.015977
C 1.406946 -0.428858 0.037078
C -1.110521 1.043800 -1.289712
C 0.364761 0.147115 1.012261
C -2.148106 -0.099407 0.722951
H 1.406341 -1.382832 -1.906094
H -0.082728 -1.646141 -0.984378
H 0.777465 0.998725 -2.336416
H -0.404009 -0.152517 -2.959000
H 2.138543 0.392724 -0.199413
H -1.607916 1.716749 -2.033698
H -0.677269 1.726214 -0.525738
H -2.462981 -0.568156 -1.289532
H 1.547662 -2.340607 0.840616
H 2.665094 -1.294409 1.442781
H -2.390886 -2.133903 1.059665
H -3.495827 -1.189801 1.871678
H -2.635566 1.897514 1.117039
H -1.753271 1.170000 2.329915


%chk=000028782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028782

0 1
O 0.119211 0.886787 1.826239
O -0.395229 -1.355903 1.508684
N -2.270672 0.158957 -0.761326
N 2.411413 -1.421526 0.482220
N -3.164932 -1.027261 1.074193
N -2.380108 1.171323 1.402012
C 0.711240 -0.848473 -1.201233
C -0.058955 0.223009 -2.015549
C 1.377147 -0.405278 0.133613
C -1.180924 1.017532 -1.297619
C 0.300063 -0.290571 1.252087
C -2.605147 0.113631 0.562271
H 1.527146 -1.229816 -1.844108
H 0.053932 -1.709778 -0.966010
H 0.657165 0.986856 -2.381578
H -0.477714 -0.258970 -2.924271
H 1.879911 0.571493 0.011607
H -1.611043 1.754422 -2.003291
H -0.740128 1.564954 -0.446144
H -2.633204 -0.578668 -1.371574
H 1.944944 -2.295132 0.772791
H 3.020459 -1.092829 1.244507
H -2.719457 -1.916442 0.833946
H -3.491032 -0.948008 2.038298
H -2.329559 2.086037 0.939319
H -1.484629 1.023751 2.022516


