%chk=000183398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183398

0 1
S 3.977733 0.645726 -0.690158
O -1.236918 -0.739855 0.541442
N 1.351048 -0.764908 0.196212
N -2.479268 1.123123 0.229287
N -5.795790 -0.570987 -0.360032
C 1.237871 0.575927 -0.162282
C -0.037321 1.214628 -0.149180
C 2.376394 1.340437 -0.544653
C -3.736189 0.404527 0.545267
C -4.448722 -0.041972 -0.751070
C 2.560669 -1.493162 0.326505
C 3.812393 -0.957707 -0.016292
C -1.257985 0.455450 0.221466
C -0.109289 2.582300 -0.492471
C 2.273753 2.681121 -0.865351
C 1.014630 3.312174 -0.839270
C 2.485149 -2.812073 0.826498
C 4.977895 -1.709056 0.142418
C -5.698763 -1.988341 0.100977
C -6.754810 -0.464199 -1.500028
C 3.652999 -3.558629 0.974096
C 4.898176 -3.013542 0.637223
H -3.504623 -0.483049 1.183012
H -4.396333 1.072347 1.142281
H -4.573887 0.827144 -1.430483
H -3.819771 -0.778028 -1.296138
H 0.465272 -1.272151 0.455045
H -2.565861 2.085875 -0.077461
H -1.078650 3.087308 -0.483051
H 3.156790 3.262579 -1.144158
H 0.936709 4.366374 -1.093200
H 1.522391 -3.243965 1.095879
H 5.949081 -1.284663 -0.119087
H -6.682078 -2.304608 0.484280
H -5.379012 -2.705723 -0.669008
H -4.987670 -2.051516 0.940999
H -6.465568 -1.018649 -2.404469
H -7.740740 -0.832378 -1.171979
H -6.881933 0.597528 -1.764832
H 3.593976 -4.577414 1.358249
H 5.803153 -3.604294 0.760216


%chk=000183398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183398

0 1
S 4.095661 0.610912 -0.902973
O -1.176944 -1.004398 0.006270
N 1.427292 -0.858329 -0.159500
N -2.391407 0.945439 0.264372
N -5.839220 -0.583956 -0.266514
C 1.286281 0.503416 -0.424259
C -0.023217 1.110128 -0.405806
C 2.416986 1.332800 -0.706517
C -3.630932 0.223606 0.592656
C -4.584788 0.114381 -0.624422
C 2.607628 -1.522795 0.226757
C 3.896828 -0.960167 0.030778
C -1.217806 0.285418 -0.047695
C -0.147572 2.491818 -0.733536
C 2.267776 2.704216 -0.958883
C 0.975571 3.288400 -0.997350
C 2.510413 -2.798005 0.844272
C 5.052530 -1.637972 0.463491
C -5.669276 -2.046474 -0.124972
C -6.957723 -0.250258 -1.172612
C 3.669961 -3.492987 1.247413
C 4.946181 -2.913705 1.067241
H -3.334534 -0.779218 0.940364
H -4.156385 0.739939 1.415663
H -4.846007 1.134973 -0.964995
H -4.039190 -0.383786 -1.464509
H 0.508583 -1.342997 -0.058768
H -2.397236 1.963631 0.306338
H -1.139894 2.950011 -0.816343
H 3.154046 3.315524 -1.160466
H 0.861597 4.347670 -1.245873
H 1.517460 -3.233581 1.004681
H 6.036288 -1.178838 0.315878
H -6.615527 -2.493991 0.227826
H -5.383007 -2.545920 -1.084851
H -4.890503 -2.277045 0.621018
H -6.796824 -0.591460 -2.226745
H -7.885683 -0.722656 -0.802850
H -7.115341 0.843021 -1.186449
H 3.573398 -4.480475 1.711167
H 5.849437 -3.442588 1.387402


