%chk=000217418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217418

0 1
O -0.233812 -2.139667 0.924159
O 0.382258 -2.150206 -1.250085
O -3.254827 1.229400 -2.338662
N 2.903720 1.007568 -0.259382
C 0.715552 -0.114333 0.102074
C 1.480860 -0.052740 1.448200
C 1.766046 0.350507 -0.968628
C 2.919747 0.382841 1.103405
C -0.526436 0.757968 0.007698
C 0.297903 -1.558911 -0.199367
C 2.734090 2.489017 -0.192493
C -1.358305 0.614040 -1.110312
C -0.839389 1.716716 0.984374
C -2.490984 1.433874 -1.215649
C -1.973966 2.522094 0.854679
C -2.820272 2.395569 -0.248179
C -0.706162 -3.522712 0.825326
C 0.472016 -4.472895 0.858202
H 1.465016 -1.026137 1.971458
H 1.008732 0.661291 2.149811
H 2.180016 -0.530666 -1.511987
H 1.314043 1.003697 -1.737803
H 3.345033 1.059185 1.865901
H 3.595904 -0.497788 1.042416
H 3.590534 2.923939 0.345981
H 1.805396 2.827304 0.290383
H 2.759349 2.894628 -1.217136
H -1.151801 -0.113449 -1.897760
H -0.195187 1.829527 1.858287
H -2.202477 3.259532 1.625130
H -3.700844 3.018988 -0.349376
H -1.346068 -3.584479 1.724359
H -1.308239 -3.622094 -0.095484
H 0.143752 -5.516839 0.924804
H 1.082575 -4.377905 -0.053306
H 1.130975 -4.273024 1.712159
H -4.041550 1.827059 -2.369694


%chk=000217418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217418

0 1
O -0.129762 -2.040781 1.062676
O 0.330663 -2.084371 -1.216671
O -3.044545 1.795676 -2.640552
N 3.001556 0.880207 -0.412471
C 0.703569 0.021713 0.063453
C 1.520058 0.238049 1.379590
C 1.748372 0.429365 -1.078007
C 2.994012 0.162536 0.895881
C -0.631064 0.797042 -0.008962
C 0.312296 -1.463854 -0.127817
C 3.107997 2.354085 -0.273954
C -1.262916 0.973323 -1.264417
C -1.269431 1.296143 1.157303
C -2.492249 1.660573 -1.352863
C -2.497750 1.984318 1.057289
C -3.119958 2.179133 -0.195062
C -0.620979 -3.452880 0.977795
C 0.538103 -4.441564 1.129285
H 1.267494 -0.497378 2.158348
H 1.325594 1.251132 1.774772
H 1.949284 -0.455756 -1.706282
H 1.352076 1.229452 -1.724043
H 3.712441 0.618132 1.597962
H 3.296632 -0.889991 0.729063
H 4.060490 2.600598 0.228063
H 2.276633 2.831953 0.299908
H 3.131583 2.811135 -1.278419
H -0.827057 0.569424 -2.183636
H -0.821200 1.136720 2.141584
H -2.979979 2.369375 1.962629
H -4.074678 2.716175 -0.266468
H -1.339978 -3.524166 1.809612
H -1.138019 -3.584357 0.011268
H 0.145455 -5.475272 1.151259
H 1.237426 -4.358096 0.280608
H 1.089594 -4.262999 2.068720
H -3.908566 2.276101 -2.603942


