%chk=000269895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269895

0 1
O 3.033614 0.469512 0.353394
N -0.400296 -1.275490 -1.069296
N -0.040645 -2.569193 -0.703500
N 1.172116 -2.580271 -0.284222
N 0.719650 0.939204 -1.160381
N 4.047233 -1.712196 0.213611
C -1.739974 -0.928941 -1.582330
C -2.451736 0.028515 -0.657072
C 0.686578 -0.415766 -0.823687
C 1.703223 -1.273414 -0.321065
C -2.855365 1.285839 -1.127308
C -2.721081 -0.344559 0.667698
C 3.050758 -0.924280 0.100419
C -3.529281 2.164311 -0.273686
C -3.390756 0.539523 1.517212
C -3.795978 1.793807 1.048094
C 4.273371 1.136715 0.715893
C 3.893797 2.604356 0.777696
H -2.334534 -1.873776 -1.691105
H -1.629830 -0.507335 -2.611314
H -2.657462 1.579099 -2.157401
H -2.404913 -1.323706 1.033359
H -3.849452 3.138539 -0.641237
H -3.599245 0.248755 2.546763
H 1.547268 1.419749 -0.787180
H -0.136130 1.454407 -0.972500
H -4.321305 2.479651 1.711371
H 4.599761 0.743570 1.695078
H 5.030901 0.928585 -0.059926
H 4.727127 3.213905 1.148508
H 3.608926 2.990681 -0.209194
H 3.038173 2.763483 1.448994
H 4.954889 -1.406477 0.530013


%chk=000269895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269895

0 1
O 3.164815 0.542752 0.206368
N -0.384210 -1.159546 -1.085894
N -0.008271 -2.553104 -0.948862
N 1.240558 -2.553993 -0.488100
N 0.614952 1.028561 -0.727988
N 3.921519 -1.777903 0.533321
C -1.694833 -0.805896 -1.635384
C -2.529677 0.067566 -0.701043
C 0.653333 -0.343315 -0.696264
C 1.695346 -1.238928 -0.315912
C -3.159036 1.239710 -1.187405
C -2.704953 -0.298949 0.658212
C 3.029134 -0.903922 0.181048
C -3.959839 2.033045 -0.331885
C -3.500403 0.493479 1.513016
C -4.131258 1.661527 1.020605
C 4.457796 1.078398 0.676885
C 4.369170 2.602381 0.612126
H -2.193408 -1.774977 -1.818981
H -1.568663 -0.304833 -2.614943
H -3.033955 1.527618 -2.239258
H -2.214591 -1.202477 1.039688
H -4.446013 2.935008 -0.719973
H -3.631872 0.201099 2.560667
H 1.460848 1.498452 -0.401975
H -0.268994 1.528686 -0.797375
H -4.750251 2.274175 1.685317
H 4.642929 0.733051 1.714414
H 5.270460 0.698182 0.025093
H 5.318717 3.051389 0.955630
H 4.182809 2.941273 -0.421814
H 3.557824 2.976870 1.260429
H 4.829420 -1.408581 0.865938


