%chk=000258006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258006

0 1
S 2.121219 -1.571020 0.709794
S -4.650736 0.200131 -0.861901
O 3.175448 -2.217082 1.766306
O 1.550977 -2.414396 -0.562383
O -4.326521 1.352717 -1.978657
O -5.352093 -1.228864 -1.240491
N 0.633243 -0.992335 1.905748
C -0.605728 -0.765273 1.247410
C 2.774327 0.062859 0.063237
C -3.020069 -0.184741 0.026469
C -0.790812 0.482519 0.595755
C -1.651046 -1.727520 1.242769
C -2.002112 0.775388 -0.031084
C -2.877070 -1.433658 0.638769
C 3.601777 0.824360 0.896258
C 2.433958 0.431486 -1.242570
C 3.792383 2.456312 -0.932958
C 4.106725 2.029232 0.381992
C 2.952507 1.642898 -1.731099
C -5.751796 1.021351 0.475197
C 4.373735 3.744093 -1.484075
H 0.608654 -1.809368 2.549192
H 0.020832 1.216279 0.614195
H -1.490665 -2.708172 1.705566
H -2.161476 1.717161 -0.566740
H -3.687982 -2.168455 0.595873
H 3.851014 0.479817 1.904558
H 1.796902 -0.215563 -1.854105
H 4.758137 2.647638 1.009933
H 2.702194 1.958141 -2.750112
H -6.690006 1.260072 -0.045014
H -5.225593 1.922950 0.817118
H -5.896316 0.279989 1.272754
H 5.393943 3.573956 -1.878949
H 4.451504 4.521642 -0.704235
H 3.763443 4.144956 -2.311024


%chk=000258006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258006

0 1
S 2.059192 -1.461914 0.479078
S -4.973861 -0.102396 -0.698940
O 3.032428 -2.239389 1.527563
O 1.480220 -2.171183 -0.866411
O -4.786688 0.760184 -2.077749
O -5.739376 -1.548423 -0.653045
N 0.590358 -0.880227 1.671595
C -0.696605 -0.752362 1.090094
C 2.850342 0.160483 -0.032142
C -3.250360 -0.350666 0.046869
C -0.938045 0.322070 0.184906
C -1.757142 -1.642997 1.429125
C -2.221889 0.520453 -0.353998
C -3.053131 -1.435102 0.917139
C 3.669492 0.824983 0.893990
C 2.620376 0.619048 -1.339061
C 4.080833 2.542299 -0.831015
C 4.281315 2.026882 0.478216
C 3.246415 1.823568 -1.727727
C -5.878687 1.040194 0.546759
C 4.773071 3.817658 -1.272990
H 0.648941 -1.619971 2.398733
H -0.120129 1.004119 -0.067394
H -1.560703 -2.496773 2.088221
H -2.425689 1.317823 -1.076606
H -3.877403 -2.119920 1.143282
H 3.832867 0.413858 1.894838
H 1.992766 0.043125 -2.027231
H 4.925379 2.569549 1.179337
H 3.087080 2.205442 -2.742444
H -6.878039 1.188802 0.114267
H -5.305777 1.975941 0.600060
H -5.916757 0.504949 1.505292
H 5.764717 3.592044 -1.710688
H 4.937871 4.505607 -0.425977
H 4.189519 4.351744 -2.042449


