%chk=000214639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214639

0 1
O 0.502251 0.630917 0.002115
O -3.982556 1.842466 0.001974
O -0.294894 -3.416897 -0.003485
N 4.026849 -0.313935 0.006944
N 3.037791 1.739215 -0.002247
N 4.928297 0.695694 0.005611
N 4.313027 1.926509 0.000013
C -1.139262 -1.197083 -0.001127
C -0.814173 0.171286 0.000851
C -0.080479 -2.222514 -0.002099
C -1.769978 1.185995 0.001894
C 1.509572 -0.331037 0.000561
C -2.504581 -1.549038 -0.002122
C -3.117784 0.786101 0.000840
C 1.287734 -1.656320 -0.001316
C -3.494592 -0.576221 -0.001164
C 2.814237 0.327970 0.001642
C -5.408035 1.567416 0.001046
H -1.490132 2.238209 0.003415
H -2.765183 -2.614071 -0.003680
H 2.104539 -2.384195 -0.002436
H -4.540095 -0.866510 -0.001960
H -5.689655 1.027876 -0.907776
H -5.827103 2.583288 0.002281
H -5.690359 1.025375 0.908158
H 5.936265 0.538406 0.008569


%chk=000214639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214639

0 1
O 0.528531 0.682150 0.001973
O -4.070060 1.878977 0.001697
O -0.273968 -3.439415 -0.003493
N 4.033498 -0.393961 0.004971
N 3.116360 1.725145 0.000845
N 4.972041 0.593223 0.004483
N 4.457267 1.892153 0.001552
C -1.121165 -1.162785 -0.000939
C -0.807934 0.226131 0.000850
C -0.044417 -2.182722 -0.001844
C -1.793447 1.223854 0.001706
C 1.547013 -0.271527 0.000970
C -2.491618 -1.523626 -0.001873
C -3.149940 0.829990 0.000746
C 1.315383 -1.627388 -0.000865
C -3.504434 -0.553322 -0.001057
C 2.875376 0.342245 0.002125
C -5.500296 1.545488 0.000729
H -1.521135 2.281607 0.003067
H -2.728567 -2.592704 -0.003269
H 2.163886 -2.315855 -0.001607
H -4.552551 -0.864041 -0.001816
H -5.777443 0.974933 -0.905980
H -6.016575 2.515952 0.001773
H -5.778132 0.972617 0.905764
H 5.974030 0.401782 0.005994


