%chk=000269348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269348

0 1
O 1.346712 0.512900 -0.442673
O -3.719863 2.500854 -0.193294
O -5.258924 -1.815635 0.403667
N -0.869418 1.296261 -0.321579
N -0.560959 -0.993254 -0.107564
N -2.983287 -1.567759 0.172235
N -4.491888 0.349721 0.103964
C 4.232605 0.419080 0.841108
C 5.780494 -1.034734 0.035624
C 3.622305 -0.036671 -0.524766
C 4.935191 -0.878120 1.332583
C 4.674584 -1.056447 -1.057744
C 5.450882 1.332036 0.524109
C 6.507028 0.338814 -0.034516
C 2.245266 -0.672086 -0.374669
C 0.035801 0.243762 -0.293753
C -2.144936 0.703592 -0.145545
C -1.917844 -0.694612 -0.016975
C -0.608973 2.724077 -0.506155
C -3.442435 1.320597 -0.093720
C -4.321554 -1.057905 0.238527
C -2.743445 -3.024887 0.306620
C -5.898131 0.834343 0.178855
H 3.502947 0.864169 1.526061
H 6.453105 -1.898593 0.002973
H 3.534195 0.833962 -1.214938
H 4.252894 -1.713689 1.522670
H 5.537334 -0.736437 2.237774
H 5.060707 -0.758679 -2.042919
H 4.259326 -2.068348 -1.175219
H 5.812331 1.835413 1.433223
H 5.202639 2.122266 -0.197795
H 6.811948 0.593398 -1.058845
H 7.420515 0.335332 0.578170
H 2.072914 -1.175647 0.590730
H 1.968587 -1.340944 -1.207202
H 0.068541 3.103319 0.280569
H -0.146380 2.914990 -1.491817
H -1.563464 3.295912 -0.452638
H -2.242264 -3.414040 -0.597431
H -3.704610 -3.557486 0.442297
H -2.095853 -3.226292 1.178352
H -5.922262 1.935225 0.068326
H -6.347793 0.562154 1.149254
H -6.504670 0.380786 -0.623835


%chk=000269348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269348

0 1
O 1.329824 0.609375 -0.507492
O -3.785190 2.554995 0.026328
O -5.222935 -1.927383 0.374659
N -0.902597 1.365559 -0.275239
N -0.556979 -0.908235 -0.229488
N -2.923587 -1.555150 0.082196
N -4.478024 0.289056 0.195431
C 4.182403 0.574566 0.656195
C 5.679584 -1.107853 0.276671
C 3.668502 -0.055796 -0.679106
C 4.723414 -0.667632 1.423473
C 4.684745 -1.240774 -0.915457
C 5.503061 1.339288 0.342327
C 6.534450 0.179243 0.068226
C 2.237580 -0.581735 -0.608032
C 0.006917 0.326597 -0.343114
C -2.165940 0.754401 -0.100465
C -1.908371 -0.625452 -0.076971
C -0.612134 2.804634 -0.377068
C -3.477666 1.319080 0.036375
C -4.263519 -1.115954 0.225302
C -2.622645 -2.998858 0.105428
C -5.887245 0.718166 0.345746
H 3.422258 1.184119 1.170877
H 6.275600 -2.017206 0.458755
H 3.719855 0.686242 -1.497969
H 3.951426 -1.421736 1.661971
H 5.254349 -0.399634 2.354340
H 5.189239 -1.169715 -1.895176
H 4.169051 -2.221015 -0.879913
H 5.813659 1.951881 1.208132
H 5.389629 2.018861 -0.521708
H 6.963682 0.224981 -0.949190
H 7.375539 0.213433 0.784352
H 2.060457 -1.224876 0.273324
H 1.952989 -1.145494 -1.516134
H 0.093474 3.108444 0.414462
H -0.166137 3.036571 -1.359291
H -1.562165 3.348413 -0.261980
H -2.137135 -3.299785 -0.838108
H -3.575525 -3.533215 0.230406
H -1.942532 -3.231263 0.942235
H -5.900732 1.816636 0.293117
H -6.288098 0.371616 1.312401
H -6.502632 0.283296 -0.458728


