%chk=000271634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271634

0 1
S 3.995047 0.691588 0.607961
F 1.227266 -2.581270 -0.550053
F 0.341326 -3.045288 1.326400
F -0.706282 -3.462618 -0.476044
O -1.888836 -1.372946 -0.324258
O -0.396963 2.360973 0.734049
O 1.610675 -0.229481 2.160004
C -2.648857 -0.233431 -0.361712
C -2.218759 1.022673 -0.020107
C -4.081913 -0.247954 -0.803406
C -0.059158 0.006086 0.499092
C -0.861420 1.285438 0.442246
C -0.583775 -1.175516 0.139160
C -3.354374 1.934171 -0.215042
C -4.422054 1.228857 -0.661660
C 1.348406 0.131067 1.036663
C 0.067301 -2.545394 0.117864
C 2.335339 0.674987 0.114072
C 2.200597 1.228430 -1.135821
C 3.452952 1.652129 -1.693586
C 4.517800 1.421268 -0.863819
H -4.720095 -0.889586 -0.162165
H -4.209414 -0.613634 -1.841880
H -3.279654 2.990960 -0.012589
H -5.405327 1.587341 -0.902786
H 1.260769 1.351816 -1.659435
H 3.521046 2.109176 -2.672006
H 5.556559 1.645759 -1.048542


%chk=000271634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271634

0 1
S 4.048691 1.010372 0.773295
F 1.501096 -2.390247 0.266902
F -0.408594 -3.423851 0.930958
F -0.009165 -3.086238 -1.274552
O -1.919376 -1.354605 -0.314564
O -0.432325 2.442801 0.713827
O 1.512660 0.010150 2.257900
C -2.719059 -0.231260 -0.319444
C -2.287127 1.043729 0.008871
C -4.173812 -0.250000 -0.692417
C -0.058691 0.055033 0.438315
C -0.904297 1.302143 0.411931
C -0.578631 -1.161458 0.072456
C -3.440749 1.948801 -0.132682
C -4.536136 1.224160 -0.535710
C 1.343163 0.227702 1.022869
C 0.125946 -2.496812 0.008708
C 2.387614 0.698073 0.123736
C 2.321176 0.973266 -1.245821
C 3.561543 1.425403 -1.801083
C 4.581418 1.497970 -0.856085
H -4.766211 -0.903289 -0.021911
H -4.337978 -0.620601 -1.723243
H -3.391242 3.020137 0.065375
H -5.539736 1.609653 -0.723562
H 1.402821 0.858634 -1.827211
H 3.699784 1.688398 -2.851914
H 5.615419 1.807539 -1.002345


