%chk=000282637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282637

0 1
O -2.487738 -3.066421 0.953730
O -4.044743 0.702498 -1.145672
N -2.289570 0.124755 0.015797
N -0.284106 -1.092275 0.194272
N -2.854910 0.751990 -1.035697
C 1.338577 1.250105 0.068195
C -0.076497 1.353950 0.030269
C 1.956591 -0.062614 0.182852
C -0.835504 0.103109 0.079443
C 1.116046 -1.201762 0.259884
C 2.116354 2.435609 0.008396
C -0.678449 2.635590 -0.030689
C -3.061626 -0.692875 1.003446
C 3.360663 -0.259640 0.231043
C 1.668892 -2.505272 0.391479
C 1.509213 3.674389 -0.069674
C 0.100465 3.776547 -0.082346
C 3.890040 -1.529769 0.355481
C 3.039696 -2.658589 0.437681
C -3.411742 -2.093746 0.469988
H 3.204539 2.358200 0.025490
H -1.766113 2.727502 -0.035133
H -3.992409 -0.132739 1.252560
H -2.475850 -0.792863 1.945469
H 4.020817 0.607246 0.168490
H 0.996643 -3.362616 0.451367
H 2.111071 4.582740 -0.118464
H -0.365006 4.760481 -0.134093
H 4.969248 -1.675979 0.391829
H 3.480674 -3.650983 0.537416
H -3.442537 -2.128902 -0.634234
H -4.379816 -2.445460 0.877192
H -1.572216 -2.850903 0.637034


%chk=000282637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282637

0 1
O -2.119440 -3.055962 0.395687
O -4.225063 0.885084 -0.753101
N -2.304493 0.141969 0.181313
N -0.314211 -1.048248 0.347240
N -2.954140 1.007415 -0.740922
C 1.345577 1.255256 0.047526
C -0.095286 1.382495 0.043723
C 1.950651 -0.067114 0.207775
C -0.872475 0.151406 0.180514
C 1.073234 -1.192160 0.379738
C 2.133026 2.438640 -0.080261
C -0.681712 2.682869 -0.046466
C -3.093511 -0.832967 0.984677
C 3.356252 -0.308850 0.220131
C 1.597825 -2.504991 0.564871
C 1.536179 3.700692 -0.183828
C 0.119927 3.824862 -0.153988
C 3.864190 -1.603649 0.399476
C 2.982622 -2.709437 0.574911
C -3.298843 -2.216913 0.309723
H 3.224116 2.366133 -0.088352
H -1.767547 2.783622 -0.049501
H -4.074947 -0.352134 1.148275
H -2.572140 -0.969940 1.947192
H 4.058960 0.519420 0.088725
H 0.895199 -3.334722 0.692032
H 2.161448 4.595040 -0.277628
H -0.345444 4.813497 -0.220670
H 4.947196 -1.766618 0.404408
H 3.388956 -3.716556 0.714278
H -3.626624 -2.064276 -0.741028
H -4.111586 -2.737147 0.850142
H -1.317201 -2.425412 0.336189


