%chk=000203398.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203398

0 1
O 2.336022 1.621809 0.003324
N -0.149879 0.620983 -0.002142
N 3.440711 -0.364181 0.000455
C 0.950229 -0.358423 0.001110
C 2.279473 0.398589 0.001728
C -1.489634 0.239865 -0.000725
C -1.893365 -1.115551 0.000399
C -2.470190 1.268332 -0.001258
C 4.758010 0.310381 -0.000938
C 3.441511 -1.839965 -0.001398
C -3.254564 -1.422017 0.000810
C -3.817291 0.927581 -0.000835
C -4.221691 -0.414570 0.000220
H 0.883702 -1.019296 -0.897247
H 0.881746 -1.016556 0.901353
H 0.121462 1.605728 -0.000412
H -1.165016 -1.915695 0.000803
H -2.169999 2.311301 -0.002103
H 5.336088 0.041944 -0.899635
H 5.336383 0.045248 0.898547
H 4.619475 1.412234 -0.002837
H 2.925300 -2.241267 0.888483
H 4.471771 -2.235116 0.014221
H 2.952577 -2.238567 -0.907850
H -3.564952 -2.467004 0.001634
H -4.570069 1.716310 -0.001285
H -5.276607 -0.666298 0.000578


%chk=000203398-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203398

0 1
O 2.281591 1.653776 0.009536
N -0.132726 0.573261 0.014667
N 3.449092 -0.362200 -0.003315
C 0.943220 -0.393525 0.026114
C 2.280714 0.379646 0.010113
C -1.482861 0.235954 0.019546
C -1.922042 -1.122830 0.030842
C -2.471206 1.268588 0.012164
C 4.744902 0.338906 -0.052283
C 3.507801 -1.830990 -0.036919
C -3.300964 -1.426260 0.033565
C -3.841121 0.948418 0.015114
C -4.273787 -0.401621 0.025663
H 0.897698 -1.072843 -0.855595
H 0.901945 -1.044963 0.929965
H 0.175384 1.551156 0.010340
H -1.192393 -1.939723 0.037213
H -2.150370 2.317847 0.004003
H 5.301689 0.062925 -0.968305
H 5.360040 0.077284 0.829457
H 4.553047 1.422152 -0.055696
H 2.531627 -2.279211 0.196599
H 4.234059 -2.192042 0.715255
H 3.831886 -2.195316 -1.032020
H -3.615336 -2.476973 0.041984
H -4.579372 1.759145 0.009189
H -5.341315 -0.644761 0.027803


