%chk=000211241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211241

0 1
I -0.082968 1.657205 -0.926839
I 0.199269 -4.324406 -0.784949
I -4.893622 -1.930215 0.843112
O 3.966613 -0.403704 -0.562140
O 0.926027 -0.779377 -1.053445
O 3.580269 2.778533 0.950633
O 3.230200 2.321622 -1.205180
O -1.720863 2.065121 1.731224
N -3.220233 0.879285 0.438630
C 3.154060 -0.683239 -1.720295
C 2.043755 -1.676063 -1.382043
C 3.366294 0.449612 0.429267
C -0.285517 -1.227508 -0.629442
C -2.396970 -0.227860 0.121115
C -1.096057 -0.091542 -0.361312
C -0.799074 -2.516280 -0.464170
C 4.226427 0.242212 1.661521
C -2.917658 -1.549711 0.236611
C -2.131587 -2.656628 -0.043924
C 3.391702 1.894976 -0.085231
C -2.785525 2.036914 1.164882
C -3.798658 3.142050 1.157517
H 2.753315 0.262647 -2.145948
H 3.900372 -1.120677 -2.411369
H 1.753736 -2.299179 -2.244139
H 2.289317 -2.290868 -0.498168
H 2.290928 0.170688 0.590352
H 5.296526 0.307864 1.415987
H 4.057820 -0.750271 2.097948
H 4.013538 1.001287 2.429453
H -2.554074 -3.666207 0.067432
H -4.229656 0.748341 0.275624
H -4.064275 3.458671 0.138092
H -3.388611 4.028725 1.671371
H -4.725789 2.871486 1.680410
H 3.555470 3.727697 0.656012


%chk=000211241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211241

0 1
I -0.983444 2.059265 -1.258971
I 1.225477 -3.106478 1.227210
I -4.781764 -2.052096 1.400791
O 4.058941 -0.429566 -1.099294
O 1.087172 -0.185504 -0.258320
O 4.493705 1.761311 1.850294
O 4.639855 2.286979 -0.407409
O -3.171784 2.364724 1.479625
N -3.764329 0.708304 -0.060321
C 2.923606 0.135304 -1.840354
C 1.608575 -0.601121 -1.603017
C 4.156756 -0.062454 0.314707
C -0.208257 -0.609349 0.059647
C -2.645810 -0.142212 0.177364
C -1.326674 0.227423 -0.212915
C -0.430513 -1.847326 0.717431
C 5.281265 -0.930553 0.905045
C -2.820173 -1.408261 0.803195
C -1.730565 -2.258514 1.075053
C 4.458551 1.434722 0.486634
C -3.981208 1.920916 0.624400
C -5.250825 2.653063 0.206034
H 2.803566 1.215317 -1.635018
H 3.205246 0.009379 -2.900984
H 0.869033 -0.312413 -2.376232
H 1.759511 -1.696843 -1.608837
H 3.202338 -0.266209 0.839005
H 6.225305 -0.756039 0.361250
H 5.007510 -1.993259 0.795215
H 5.426333 -0.699689 1.972787
H -1.887706 -3.214874 1.576787
H -4.528486 0.337419 -0.630427
H -5.007004 3.373562 -0.596582
H -5.632305 3.222693 1.067054
H -6.041478 1.976510 -0.163957
H 4.664081 2.737070 1.951710


