%chk=000296122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296122

0 1
O 5.282202 1.535162 -0.096239
O 5.062856 -0.612745 -0.218371
N -0.993076 1.045026 0.241400
N -3.160517 0.271634 0.295260
N 4.606104 0.517314 -0.120697
C -3.271896 1.759531 0.385705
C -1.797244 2.299123 0.358776
C -1.911389 -0.087482 0.209666
C 0.379239 0.935853 0.150919
C -1.322060 -1.420266 0.098208
C -4.113426 2.316985 -0.774048
C 0.950649 -0.377080 0.035571
C 0.084035 -1.562456 0.012424
C 1.213952 2.087499 0.175392
C 2.340126 -0.483132 -0.051677
C -2.160069 -2.550479 0.075862
C -5.589452 1.969371 -0.611520
C 0.617472 -2.862320 -0.094800
C 3.152335 0.660218 -0.027022
C 2.584518 1.948756 0.087363
C -1.609802 -3.824358 -0.030607
C -0.218429 -3.975989 -0.115766
H -3.756823 2.003163 1.364248
H -1.602856 2.969851 -0.500932
H -1.540716 2.840902 1.289789
H -3.741021 1.915526 -1.738997
H -3.989254 3.416282 -0.826303
H 0.773632 3.078133 0.264084
H 2.818051 -1.470334 -0.141447
H -3.243934 -2.414770 0.143180
H -5.728873 0.881958 -0.516614
H -6.025476 2.430370 0.281335
H -6.173645 2.300945 -1.477017
H 1.697966 -3.002268 -0.162249
H 3.245616 2.824097 0.104408
H -2.256102 -4.700698 -0.047737
H 0.212408 -4.975023 -0.199147


%chk=000296122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296122

0 1
O 5.355636 1.624624 -0.085889
O 5.138565 -0.647212 -0.205453
N -0.987379 1.043012 0.233702
N -3.167974 0.273369 0.292610
N 4.638323 0.545188 -0.108246
C -3.249351 1.772573 0.383264
C -1.767285 2.302205 0.325891
C -1.894105 -0.053267 0.208483
C 0.389082 0.929320 0.149434
C -1.330216 -1.402335 0.096968
C -4.143123 2.348313 -0.740449
C 0.974227 -0.386601 0.039003
C 0.089062 -1.572729 0.014404
C 1.218116 2.090130 0.171235
C 2.378762 -0.478510 -0.043962
C -2.201232 -2.520967 0.074488
C -5.609650 1.887796 -0.624753
C 0.593008 -2.899911 -0.090471
C 3.178773 0.682005 -0.019195
C 2.609048 1.973705 0.087999
C -1.679209 -3.820869 -0.029802
C -0.274542 -4.005976 -0.112548
H -3.711700 2.022771 1.358651
H -1.588141 2.934689 -0.564829
H -1.483057 2.872895 1.228607
H -3.722567 2.038643 -1.717565
H -4.088875 3.455617 -0.698018
H 0.762490 3.080393 0.254567
H 2.887514 -1.441014 -0.130841
H -3.277750 -2.336391 0.141561
H -5.663424 0.785974 -0.621988
H -6.067258 2.251608 0.314617
H -6.214791 2.269413 -1.466482
H 1.670614 -3.076251 -0.155280
H 3.264041 2.848336 0.103483
H -2.350348 -4.685696 -0.046967
H 0.139819 -5.016553 -0.193830


