%chk=000289137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289137

0 1
S -2.566248 -2.216322 -0.484572
O 5.121925 0.503153 -0.088590
N 0.204169 1.185912 -0.046444
C -0.211992 -1.055098 0.174088
C -0.812285 0.199051 0.067550
C 1.214472 -0.866663 0.128616
C 1.445503 0.545127 -0.016563
C -2.238555 0.482979 0.050470
C -0.939789 -2.324957 0.331253
C -3.130748 -0.581780 -0.177738
C 2.319156 -1.741175 0.193528
C 2.741156 1.098270 -0.098978
C -2.763146 1.770098 0.258088
C 3.784793 0.187144 -0.029361
C 3.593951 -1.224252 0.116181
C -4.510324 -0.374095 -0.223103
C -4.143166 1.982031 0.211684
C -5.015489 0.915832 -0.033435
C 5.486058 1.896582 -0.240556
H -0.406096 -3.175992 -0.142471
H -1.072414 -2.580824 1.404235
H 0.042803 2.164632 -0.178962
H 2.153623 -2.812179 0.303385
H 2.887391 2.161894 -0.209352
H -2.099940 2.606693 0.463686
H 4.476507 -1.858171 0.160988
H -5.193566 -1.205964 -0.401271
H -4.541991 2.983024 0.369782
H -6.089962 1.087929 -0.070412
H 5.136096 2.475578 0.618746
H 5.097196 2.289102 -1.184463
H 6.582411 1.841541 -0.258610


%chk=000289137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289137

0 1
S -2.636051 -2.322915 -0.559218
O 5.192053 0.547923 -0.106951
N 0.211777 1.124426 -0.031913
C -0.203086 -1.109600 0.172881
C -0.805102 0.151525 0.070502
C 1.228486 -0.917296 0.129943
C 1.460106 0.497850 -0.004958
C -2.233098 0.447754 0.061100
C -0.975473 -2.378675 0.376036
C -3.171226 -0.603144 -0.194168
C 2.352214 -1.787364 0.191600
C 2.754376 1.060182 -0.093578
C -2.740467 1.759168 0.282058
C 3.841683 0.160487 -0.034305
C 3.643220 -1.248807 0.108178
C -4.555227 -0.328679 -0.250082
C -4.121367 2.033467 0.217515
C -5.032962 0.987625 -0.056669
C 5.478035 1.974529 -0.250768
H -0.455444 -3.255633 -0.044282
H -1.200991 -2.576186 1.439386
H 0.052451 2.112048 -0.215869
H 2.219918 -2.869296 0.300408
H 2.899448 2.138926 -0.199338
H -2.046426 2.572088 0.529521
H 4.531775 -1.885509 0.148043
H -5.259633 -1.145281 -0.441650
H -4.485583 3.051824 0.389586
H -6.108587 1.187738 -0.104889
H 5.095383 2.551997 0.614126
H 5.046372 2.380458 -1.187153
H 6.574924 2.047471 -0.287693


