%chk=000262311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262311

0 1
S 2.608543 -1.220385 0.100264
O 2.659587 -2.088438 1.289637
N 1.656304 0.214583 0.437575
C -2.558396 0.147347 0.102574
C -4.029764 0.148132 -0.029862
C 0.243452 0.142314 0.353227
C -1.919868 1.080333 0.936478
C -1.782238 -0.787148 -0.600344
C -0.534730 1.080198 1.070998
C -0.392908 -0.795506 -0.485918
C -4.764765 -1.014357 0.255047
C -4.701401 1.311094 -0.441051
C 4.184891 -0.372735 0.042126
C -6.156078 -1.010102 0.129585
C -6.092827 1.307633 -0.566137
C -6.822536 0.148954 -0.281255
C 5.194679 -0.743050 0.928922
C 4.403560 0.589632 -0.942880
C 6.454380 -0.143057 0.824326
C 5.664083 1.188745 -1.045016
C 6.686956 0.820684 -0.163007
H -2.516892 1.804819 1.491790
H -2.271754 -1.513573 -1.250606
H -0.056959 1.801633 1.728642
H 0.179645 -1.527544 -1.049601
H 2.011974 0.898461 1.113433
H -4.248220 -1.915270 0.581938
H -4.134752 2.211938 -0.668935
H -6.722746 -1.912234 0.354061
H -6.609931 2.210138 -0.887393
H 4.999496 -1.495788 1.701393
H 3.605086 0.884434 -1.625810
H -7.905869 0.149227 -0.378619
H 7.250566 -0.425836 1.511060
H 5.848373 1.941589 -1.809317
H 7.668158 1.287835 -0.245324


%chk=000262311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262311

0 1
S 2.609082 -1.240825 0.522445
O 2.583123 -1.426920 2.167886
N 1.668381 0.387543 -0.091255
C -2.619786 0.209899 -0.029794
C -4.107633 0.151111 -0.030468
C 0.247468 0.316857 -0.029350
C -1.917027 1.095349 0.833969
C -1.848292 -0.621919 -0.892955
C -0.510679 1.136096 0.852889
C -0.444998 -0.565490 -0.904953
C -4.792049 -1.066705 -0.303593
C -4.888107 1.309318 0.243992
C 4.305629 -0.440059 0.214387
C -6.201614 -1.124626 -0.303017
C -6.297766 1.252266 0.247256
C -6.963388 0.034721 -0.026910
C 5.191438 -0.415757 1.305423
C 4.646530 0.051088 -1.060755
C 6.479943 0.133180 1.109793
C 5.939705 0.596469 -1.241019
C 6.852970 0.634303 -0.159929
H -2.476729 1.722469 1.536747
H -2.359488 -1.288980 -1.596073
H 0.008514 1.796407 1.558403
H 0.129657 -1.180941 -1.605477
H 2.056360 1.153372 0.492174
H -4.216077 -1.981550 -0.483330
H -4.387660 2.267506 0.424453
H -6.705777 -2.076103 -0.506430
H -6.877215 2.159315 0.453164
H 4.856942 -0.808087 2.273672
H 3.921335 0.032608 -1.880211
H -8.058034 -0.009990 -0.025065
H 7.189072 0.166227 1.943888
H 6.229398 0.991585 -2.220643
H 7.853870 1.054963 -0.307314


