%chk=000202978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202978

0 1
O -3.967055 0.815188 0.023805
N 3.833174 -0.203661 -0.270167
N 0.648031 -2.217143 0.005411
C 1.826248 1.311834 0.031942
C 1.024547 0.042959 0.046493
C 3.289914 0.974196 0.475345
C 1.627543 -1.211767 0.017728
C -0.397732 -0.161821 0.034486
C 3.095481 -1.477091 0.020170
C 1.828433 1.896440 -1.390154
C 1.250508 2.336440 1.026539
C -0.616128 -1.584652 0.008990
C -1.507050 0.706517 0.039747
C -1.907971 -2.145924 -0.006494
C -2.766228 0.128201 0.021919
C -2.984875 -1.283805 0.000207
C -3.911831 2.260280 0.032021
H 3.947969 1.838136 0.242646
H 3.311911 0.831408 1.576043
H 3.391602 -1.948102 0.985663
H 3.370134 -2.190381 -0.794087
H 2.335020 2.863012 -1.435240
H 2.348393 1.215005 -2.078762
H 0.809128 2.025247 -1.767604
H 0.246029 2.653453 0.719468
H 1.155209 1.910041 2.030879
H 1.872876 3.232679 1.092442
H 4.818143 -0.333162 -0.010788
H 0.803313 -3.202478 -0.039067
H -1.343935 1.778224 0.057447
H -2.047005 -3.223214 -0.024369
H -4.010392 -1.646084 -0.012033
H -4.976183 2.527259 0.024584
H -3.409283 2.626671 -0.867776
H -3.424239 2.616496 0.943865


%chk=000202978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202978

0 1
O -4.045104 0.813132 -0.043837
N 3.781354 -0.221682 -0.345180
N 0.648725 -2.221292 0.061535
C 1.835568 1.327325 0.058455
C 1.022950 0.037345 0.065661
C 3.308164 0.951306 0.425506
C 1.628891 -1.220078 0.060529
C -0.414480 -0.189715 0.046174
C 3.109876 -1.484713 0.035086
C 1.798354 1.976974 -1.354244
C 1.330687 2.338203 1.123940
C -0.617312 -1.615871 0.050202
C -1.553213 0.666337 0.011688
C -1.904432 -2.194794 0.031895
C -2.836016 0.081037 -0.008869
C -3.015130 -1.334882 0.003745
C -3.939599 2.269147 -0.062240
H 3.967709 1.807129 0.189605
H 3.358134 0.776962 1.530651
H 3.440868 -1.874474 1.034180
H 3.357492 -2.262346 -0.715527
H 2.296161 2.966491 -1.345300
H 2.318920 1.323855 -2.075735
H 0.757508 2.116828 -1.698416
H 0.333849 2.735667 0.865437
H 1.260006 1.866274 2.120846
H 2.023221 3.199602 1.193277
H 4.804010 -0.308850 -0.354123
H 0.824647 -3.222922 0.037450
H -1.427808 1.751683 -0.002502
H -2.047421 -3.281093 0.036306
H -4.036943 -1.725068 -0.012836
H -4.976760 2.635882 -0.088122
H -3.396547 2.625665 -0.960607
H -3.432630 2.651335 0.846669


