%chk=000221324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221324

0 1
S -0.578211 0.250347 1.268581
O -4.846525 -0.696849 -1.083277
O -1.531697 -0.672532 0.140153
O -0.892377 1.896913 1.080073
O 5.396594 -1.658680 -1.490050
O 5.676639 0.603899 -1.475230
N -3.660162 0.261437 1.345645
N -3.189256 0.642121 2.493252
N 4.987315 -0.460759 -1.239165
C -3.759413 1.178239 0.145996
C -4.388640 -1.040241 1.312307
C -3.877029 0.407501 -1.182675
C -4.368810 -1.669526 -0.090486
C 1.125483 -0.005284 0.469489
C 1.589400 -1.305492 0.189609
C 1.881229 1.150200 0.199686
C 2.870505 -1.457003 -0.377727
C 3.163625 1.005209 -0.367998
C 3.634105 -0.297540 -0.642650
H -2.848936 1.815585 0.169598
H -4.668751 1.787344 0.321505
H -5.433807 -0.814159 1.604177
H -3.927175 -1.684478 2.075440
H -4.272090 1.079527 -1.960517
H -2.880339 0.021522 -1.459780
H -3.345541 -2.004960 -0.338065
H -5.075403 -2.514040 -0.127516
H -2.701288 1.570672 2.352768
H 0.962638 -2.179360 0.392823
H 1.448970 2.132623 0.426111
H 3.282283 -2.439545 -0.620068
H 3.794865 1.867210 -0.600111


%chk=000221324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221324

0 1
S -0.104684 -0.466273 2.019253
O -4.529483 -1.304161 -1.023366
O -0.980184 -1.615302 1.197354
O -0.812184 1.170530 1.707918
O 4.842270 -0.592389 -2.700090
O 5.370536 1.378090 -1.680344
N -3.865448 0.588316 1.068074
N -3.312314 0.918601 2.158542
N 4.640965 0.321202 -1.810671
C -3.243851 0.706555 -0.320337
C -5.215109 -0.091566 1.023140
C -3.188713 -0.694657 -0.977969
C -5.045442 -1.470998 0.336685
C 1.369592 -0.179401 0.852253
C 1.600260 -1.164977 -0.123732
C 2.173257 0.969872 0.982990
C 2.684678 -1.003047 -1.009608
C 3.258952 1.138506 0.099216
C 3.496185 0.145423 -0.878344
H -2.234478 1.132365 -0.197610
H -3.893496 1.379663 -0.908084
H -5.901212 0.539033 0.430233
H -5.565018 -0.179327 2.063249
H -2.870082 -0.600697 -2.028112
H -2.478062 -1.333932 -0.416614
H -4.364076 -2.108446 0.937652
H -6.025105 -1.965010 0.238025
H -1.918427 1.164546 1.987717
H 0.918685 -2.021237 -0.188714
H 1.938051 1.731317 1.732208
H 2.910840 -1.736702 -1.787543
H 3.911299 2.014001 0.148526


