%chk=000255523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255523

0 1
S -5.004125 -0.794668 0.075184
O -5.128681 -1.409733 -1.498074
O -5.107908 -1.974416 0.900768
O -5.997204 0.243790 0.163379
O 6.172411 -1.936873 -1.090734
O 6.493795 -0.905120 0.869984
N 0.444110 1.475776 -0.084716
N 1.529888 0.722839 0.282360
C 3.830020 0.258356 0.688649
C 2.740876 1.209583 0.250404
C 4.547441 -0.336434 -0.526962
C -0.834053 0.890276 -0.020233
C -3.430703 -0.155985 0.043576
C -1.934706 1.705910 -0.390638
C -1.045081 -0.448885 0.386369
C -3.216327 1.171799 -0.355033
C -2.334936 -0.956342 0.412564
C 3.153302 2.588513 -0.159995
C 5.808527 -1.035135 -0.115426
H 4.551943 0.788270 1.349995
H 3.411436 -0.561175 1.317422
H 3.875569 -1.039253 -1.073016
H 4.800150 0.450803 -1.272401
H -1.787830 2.736525 -0.700661
H -0.195056 -1.069668 0.675197
H -4.070941 1.800906 -0.636523
H -2.502360 -1.993074 0.732047
H 0.534614 2.452753 -0.373311
H 2.836740 2.827102 -1.185227
H 4.245136 2.723343 -0.133498
H 2.736218 3.353194 0.512446
H -5.779619 -2.110693 -1.629607
H 7.012251 -2.424082 -0.872787


%chk=000255523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255523

0 1
S -5.199682 -0.744335 0.144558
O -5.260411 -1.437751 -1.587250
O -5.311216 -1.983346 1.181331
O -6.246442 0.489668 0.222919
O 6.631762 -1.651682 -1.154472
O 6.480046 -1.043339 1.082080
N 0.453983 1.355553 -0.086286
N 1.526781 0.563773 0.295850
C 3.876924 0.168210 0.660354
C 2.741899 1.073112 0.228537
C 4.764218 -0.268993 -0.531560
C -0.847987 0.847283 -0.026288
C -3.461436 -0.112276 0.068655
C -1.931990 1.685710 -0.420072
C -1.099156 -0.481186 0.424462
C -3.251026 1.204854 -0.378365
C -2.416381 -0.966515 0.467390
C 3.053743 2.485952 -0.241990
C 6.012695 -1.002703 -0.076371
H 4.513455 0.680563 1.407245
H 3.452482 -0.723672 1.151201
H 4.204557 -0.915801 -1.230153
H 5.098751 0.605584 -1.125345
H -1.740558 2.710419 -0.760061
H -0.255368 -1.103534 0.727543
H -4.096893 1.836148 -0.666894
H -2.633485 -1.980277 0.818070
H 0.590858 2.317479 -0.418722
H 2.728103 2.659315 -1.288303
H 4.135455 2.686976 -0.194365
H 2.552906 3.245293 0.393083
H -6.168262 -1.842624 -1.710383
H 7.456573 -2.109656 -0.834896


