%chk=000202162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202162

0 1
O 0.989263 3.055576 -0.107696
N 3.208475 0.090193 -0.417929
N -0.166332 0.314913 0.035760
C 1.557407 1.910729 -0.750997
C 2.618578 1.312912 0.201493
C 0.448509 0.923092 -1.175920
C 4.120664 -0.622411 0.532101
C 4.770281 -1.814904 -0.189838
C -1.543363 -0.054191 -0.020160
C 5.645829 -2.624411 0.761475
C -2.483908 0.706799 -0.742975
C -1.987433 -1.139710 0.767095
C -4.285267 -0.685780 0.112043
C -3.838766 0.389128 -0.672198
C -3.345810 -1.441581 0.831510
C -5.741869 -1.011153 0.194195
H 2.036697 2.355488 -1.654455
H 2.140349 1.041868 1.168743
H 3.362831 2.102108 0.445108
H -0.314350 1.482557 -1.765157
H 0.881676 0.149564 -1.849398
H 3.732734 0.356645 -1.259895
H 4.904131 0.037250 0.963218
H 3.507565 -0.986942 1.385926
H 0.442830 -0.421274 0.413726
H 3.979226 -2.461419 -0.622662
H 5.373184 -1.462547 -1.049159
H 0.346064 2.775172 0.585517
H 6.456935 -2.020158 1.183720
H 5.067147 -3.030270 1.599621
H 6.107365 -3.474221 0.244497
H -2.154285 1.550633 -1.347080
H -1.275638 -1.737350 1.330170
H -4.557137 0.986684 -1.231858
H -3.679351 -2.276328 1.446456
H -6.215005 -0.466852 1.024564
H -6.280604 -0.738627 -0.722540
H -5.919322 -2.081183 0.362677


%chk=000202162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202162

0 1
O 0.303461 2.753432 -0.250332
N 3.023984 0.115872 -0.305851
N 0.002274 -0.305650 -1.210517
C 1.292783 1.849129 -0.866573
C 2.107601 1.145531 0.243781
C 0.644109 0.839681 -1.853809
C 3.792934 -0.625429 0.725251
C 4.724452 -1.671362 0.082225
C -1.296870 -0.332959 -0.687070
C 5.531245 -2.465927 1.131461
C -2.231855 0.730389 -0.865254
C -1.729915 -1.480901 0.046414
C -3.969581 -0.500077 0.400523
C -3.536891 0.631462 -0.331491
C -3.030784 -1.553666 0.574395
C -5.375082 -0.596855 0.970119
H 1.939539 2.537039 -1.445299
H 1.396429 0.632604 0.922510
H 2.623306 1.927180 0.849581
H -0.080182 1.383520 -2.487116
H 1.435475 0.450520 -2.519477
H 3.666217 0.525360 -1.002368
H 4.396029 0.054832 1.378168
H 3.066790 -1.135987 1.389317
H 0.651087 -1.038483 -0.915933
H 4.113748 -2.358299 -0.534338
H 5.423557 -1.159837 -0.612034
H -0.387287 2.204343 0.206097
H 6.166268 -1.795023 1.739986
H 4.858388 -3.009167 1.821350
H 6.190532 -3.209490 0.648839
H -1.957745 1.624074 -1.435341
H -1.034074 -2.317706 0.191281
H -4.232219 1.465892 -0.488739
H -3.326915 -2.450452 1.134231
H -5.361741 -0.816759 2.054625
H -5.931767 0.346073 0.827774
H -5.958001 -1.402906 0.483312


