%chk=000273374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273374

0 1
S 1.170283 1.065536 -0.426939
O -2.813066 0.706581 0.575082
O -0.188058 -1.541523 -0.454220
N 3.768626 0.696779 -0.651312
N 2.653849 -1.243036 0.118134
C -0.875643 -0.588493 0.357554
C 0.077798 0.478978 0.890067
C -2.051516 0.011397 -0.439078
C -4.020598 1.306215 0.070648
C 2.634061 -0.016363 -0.232947
H -1.262709 -1.221468 1.196557
H 0.657352 0.104854 1.754766
H -0.502708 1.355355 1.262045
H -1.730180 0.726026 -1.215139
H -2.667604 -0.783164 -0.895166
H 0.081726 -1.158004 -1.322064
H -3.789705 2.062463 -0.685151
H -4.445567 1.771505 0.969416
H -4.695634 0.541405 -0.324342
H 4.657081 0.212397 -0.545179
H 3.823426 1.673783 -0.390780
H 1.795688 -1.782822 0.255747


%chk=000273374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273374

0 1
S 1.106108 1.144386 -0.370832
O -2.829454 0.767026 0.602453
O -0.253625 -1.677400 -0.492635
N 3.787433 0.802506 -0.561908
N 2.748331 -1.199093 0.121866
C -0.933944 -0.711171 0.388543
C 0.049247 0.319403 0.975053
C -2.105605 -0.059763 -0.366027
C -3.985197 1.438913 0.011247
C 2.682012 0.047084 -0.220278
H -1.340650 -1.321665 1.213118
H 0.751880 -0.153747 1.680126
H -0.503864 1.128971 1.476346
H -1.726817 0.565147 -1.208200
H -2.760851 -0.855955 -0.778556
H 0.165411 -1.149891 -1.229462
H -3.681201 2.122854 -0.809520
H -4.450239 2.022799 0.820906
H -4.720845 0.707555 -0.385329
H 4.686534 0.327443 -0.625292
H 3.742910 1.817633 -0.592570
H 1.849329 -1.704636 0.218651


