%chk=000284837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284837

0 1
S -2.787745 0.000098 0.000038
O -3.508474 -0.211360 1.238538
O -3.508404 0.211620 -1.238492
N 2.604110 1.664881 0.285006
N 2.603995 -1.665016 -0.285075
C -1.541094 1.217022 0.207986
C -1.541183 -1.216928 -0.207853
C -0.890818 1.280521 1.446962
C -0.890312 -1.687513 0.939942
C -0.890267 1.687684 -0.939802
C -0.890985 -1.280592 -1.446864
C 1.189773 1.635345 0.279928
C 1.189660 -1.635411 -0.279920
C 0.488477 1.478889 1.494431
C 0.488820 -1.890084 0.918364
C 0.488877 1.890169 -0.918289
C 0.488298 -1.479034 -1.494397
C 3.473130 0.743156 0.127058
C 3.473077 -0.743336 -0.127202
H -1.451447 1.095201 2.369489
H -1.450831 -1.818661 1.871739
H -1.450835 1.818957 -1.871552
H -1.451659 -1.095338 -2.369376
H 1.021540 1.470664 2.442205
H 1.022555 -2.196379 1.814960
H 1.022575 2.196515 -1.814889
H 1.021302 -1.470932 -2.442205
H 4.528721 1.107938 0.189024
H 4.528644 -1.108175 -0.189254


%chk=000284837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284837

0 1
S -2.927281 0.000187 0.000252
O -3.697608 -0.179617 1.426719
O -3.697932 0.180087 -1.426021
N 2.586867 1.462727 0.920778
N 2.586635 -1.462991 -0.920797
C -1.511286 1.312324 0.229449
C -1.511501 -1.312116 -0.229386
C -1.050862 1.523790 1.543140
C -0.683885 -1.488573 0.899071
C -0.683653 1.488197 -0.899088
C -1.051124 -1.523149 -1.543162
C 1.226510 1.596546 0.627155
C 1.226249 -1.596645 -0.627222
C 0.330527 1.729724 1.734341
C 0.702439 -1.620021 0.702011
C 0.702700 1.619458 -0.702087
C 0.330237 -1.729209 -1.734458
C 3.461121 0.604038 0.454596
C 3.461030 -0.604512 -0.454484
H -1.738345 1.434367 2.391095
H -1.097449 -1.396733 1.909199
H -1.097237 1.395985 -1.909176
H -1.738589 -1.433259 -2.391081
H 0.748211 1.861856 2.736534
H 1.381536 -1.675496 1.559368
H 1.381807 1.674421 -1.559469
H 0.747894 -1.860993 -2.736708
H 4.496321 0.804860 0.782287
H 4.496168 -0.805352 -0.782359


