%chk=000194051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194051

0 1
S 0.165623 1.034271 0.430690
S -3.114897 0.761261 0.963998
S -2.992042 -2.331325 0.214320
O 0.061329 1.423442 2.008177
O -0.261692 2.101880 -0.736082
N 0.625746 -2.552446 -0.880742
C 1.959187 0.526989 0.096895
C -0.836190 -0.642759 0.094450
C 2.454723 0.674217 -1.207700
C 2.722880 0.090970 1.190770
C 3.810235 0.338205 -1.428835
C 4.075650 -0.239764 0.946734
C -2.179470 -0.699691 0.388882
C 4.612038 -0.121448 -0.357393
C -0.048957 -1.688495 -0.431364
C -3.404811 1.633732 -0.708437
C -4.803919 -2.025019 0.622647
H 1.813485 1.053398 -2.009603
H 2.282869 0.033663 2.191491
H 4.234425 0.434549 -2.433394
H 4.705322 -0.586306 1.772496
H 5.660619 -0.381613 -0.537763
H -2.425524 1.937302 -1.106203
H -4.015858 2.515264 -0.458375
H -3.951908 0.964347 -1.388378
H -5.024189 -2.477817 1.599658
H -5.397900 -2.493422 -0.175441
H -4.984876 -0.938687 0.664100


%chk=000194051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194051

0 1
S 0.227151 1.012849 0.611799
S -3.032504 0.935549 0.847458
S -3.127514 -1.895141 -0.581258
O 0.205416 1.367587 2.200665
O -0.261293 2.089575 -0.519335
N 0.685900 -2.772272 -0.050744
C 1.994478 0.502123 0.162254
C -0.820662 -0.665279 0.289346
C 2.398161 0.647868 -1.174149
C 2.831017 0.060738 1.198918
C 3.733084 0.305704 -1.490442
C 4.162126 -0.275487 0.860197
C -2.183184 -0.544417 0.211897
C 4.606228 -0.158212 -0.478030
C -0.030510 -1.817814 0.088263
C -3.615422 1.689355 -0.793451
C -4.685277 -1.991538 0.482550
H 1.704533 1.034012 -1.927807
H 2.460977 0.001107 2.227404
H 4.087314 0.403474 -2.521708
H 4.845743 -0.628088 1.639115
H 5.638416 -0.422798 -0.731688
H -2.735423 2.154860 -1.259426
H -4.378142 2.439300 -0.534878
H -4.046441 0.901238 -1.429241
H -4.510399 -2.682357 1.319360
H -5.485450 -2.364173 -0.174180
H -4.926425 -0.983066 0.852708


