%chk=000276879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276879

0 1
O 0.659213 -3.246350 -0.000387
O 2.770386 2.205800 -0.000482
O -4.126820 1.444077 0.000569
O -4.181426 -0.718904 -0.000319
N 2.042892 0.047238 0.000064
N -3.589167 0.348160 0.000174
C 0.651640 0.299347 0.000067
C 2.281613 -1.429034 -0.000106
C -0.076024 -0.931251 -0.000074
C 0.867416 -2.065009 -0.000244
C -0.011913 1.536035 0.000222
C -1.462523 -0.933655 -0.000047
C 3.079756 1.035701 -0.000022
C -2.119708 0.310443 0.000119
C -1.400511 1.529151 0.000257
C 4.478750 0.512974 -0.000771
H 2.851679 -1.747790 0.897105
H 2.851777 -1.747596 -0.897323
H 0.557353 2.472918 0.000326
H -2.033425 -1.871990 -0.000160
H -1.961168 2.474663 0.000405
H 4.706912 -0.094487 0.887596
H 5.194990 1.355795 -0.000838
H 4.706108 -0.093937 -0.889732


%chk=000276879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276879

0 1
O 0.648645 -3.282228 -0.000479
O 2.809158 2.256940 -0.000222
O -4.186736 1.494398 0.000240
O -4.233259 -0.788167 0.000096
N 2.060293 0.048688 -0.000094
N -3.605309 0.340347 0.000181
C 0.668726 0.310390 0.000078
C 2.300553 -1.419369 -0.000308
C -0.063456 -0.916357 0.000044
C 0.885677 -2.048969 0.000062
C -0.006719 1.558132 0.000183
C -1.468224 -0.936717 0.000043
C 3.083178 1.024879 -0.000241
C -2.124769 0.309298 0.000143
C -1.413316 1.539069 0.000221
C 4.508667 0.494198 -0.000676
H 2.859022 -1.744216 0.895817
H 2.858567 -1.744040 -0.896782
H 0.553946 2.492662 0.000202
H -2.030489 -1.874204 0.000013
H -1.985016 2.471390 0.000291
H 4.713964 -0.125164 0.891542
H 5.191101 1.355834 -0.000506
H 4.713598 -0.124491 -0.893452


