%chk=000214684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214684

0 1
S -0.041210 2.056939 -0.106288
O -3.284301 -2.815082 -0.338783
O -3.445995 -1.127299 -1.798043
N -0.377738 -0.479358 0.347647
C -2.886896 -0.680227 0.582412
C -4.070842 0.251279 0.927838
C -4.140857 1.458720 -0.018790
C -2.876323 2.337356 0.073752
C -1.649885 0.131582 0.342205
C -1.669739 1.484794 0.111432
C -3.217479 -1.479291 -0.667104
C 0.582855 0.387738 0.119709
C 2.015387 0.146299 0.064336
C 2.579547 -0.863942 0.866580
C 2.844632 0.902647 -0.782184
C 4.783845 -0.338141 -0.004233
C 3.952524 -1.100844 0.833028
C 4.217806 0.661750 -0.812929
C 6.252726 -0.601598 -0.049319
H -2.704704 -1.397982 1.431075
H -3.954572 0.597156 1.974596
H -5.021611 -0.314288 0.896208
H -5.037156 2.065133 0.203622
H -4.258011 1.096258 -1.064799
H -2.918195 2.974404 0.984765
H -2.847323 3.039097 -0.787046
H 1.932636 -1.464106 1.510942
H 2.421862 1.673837 -1.427676
H -3.472953 -3.397675 -1.121167
H 4.379551 -1.884180 1.456902
H 4.852710 1.251043 -1.472194
H 6.832626 0.294936 -0.306951
H 6.641662 -0.969250 0.910059
H 6.486121 -1.366204 -0.806503


%chk=000214684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214684

0 1
S -0.077866 2.196923 -0.407911
O -3.481337 -2.886755 0.227243
O -3.221052 -1.459583 -1.583466
N -0.344650 -0.331636 0.411381
C -2.836797 -0.613560 0.730058
C -4.074038 0.317057 0.956785
C -4.215942 1.371582 -0.165471
C -2.993444 2.328803 -0.205961
C -1.629769 0.214932 0.349614
C -1.720936 1.536024 -0.064919
C -3.167562 -1.645269 -0.348772
C 0.602342 0.527435 0.059113
C 2.041043 0.251287 0.024001
C 2.506043 -1.046804 0.380678
C 2.996972 1.233105 -0.351520
C 4.841672 -0.367080 -0.021059
C 3.880927 -1.342869 0.358066
C 4.371450 0.925835 -0.370916
C 6.320472 -0.704149 -0.075083
H -2.620515 -1.173040 1.656151
H -3.940394 0.823912 1.932255
H -4.990904 -0.295880 1.032379
H -5.137365 1.962437 -0.009547
H -4.308767 0.858608 -1.140299
H -3.065392 3.073518 0.613640
H -2.996649 2.902601 -1.151814
H 1.769812 -1.801921 0.672909
H 2.667179 2.242435 -0.626402
H -3.720944 -3.528855 -0.495979
H 4.219489 -2.347610 0.639077
H 5.092181 1.699860 -0.660882
H 6.947449 0.188369 0.096523
H 6.590724 -1.463884 0.679421
H 6.597267 -1.114324 -1.066193


