%chk=000220530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220530

0 1
S -0.181012 -0.279513 0.803655
O -0.323422 -1.722298 0.816839
O -0.417773 0.511902 1.975892
O 4.188186 -2.200818 -0.662693
O 4.139187 2.370239 -0.258834
N 2.222403 -1.201884 -0.005668
N 4.187455 0.108832 -0.469912
C -1.024814 0.384625 -0.588163
C 1.538052 -0.040200 0.320503
C -2.507129 0.215530 -0.426319
C 2.112160 1.178780 0.261168
C -3.333778 1.340166 -0.291550
C -3.067972 -1.071918 -0.426874
C 3.599806 -1.174581 -0.398149
C 3.512730 1.341052 -0.150746
C -4.716264 1.174880 -0.161494
C -4.449475 -1.227157 -0.296297
C -5.276269 -0.105747 -0.166003
H -0.775226 1.456591 -0.754917
H -0.712568 -0.102302 -1.541375
H 1.767892 -2.127890 0.111121
H 1.604110 2.104077 0.541868
H -2.907848 2.341679 -0.279793
H -2.428389 -1.954479 -0.509506
H 5.177768 0.155043 -0.753763
H -5.357066 2.049701 -0.053610
H -4.882811 -2.227428 -0.292515
H -6.353132 -0.231281 -0.063866


%chk=000220530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220530

0 1
S -0.143965 -0.082407 0.796304
O -0.239526 -1.708140 1.055624
O -0.501335 1.016720 1.942295
O 4.264107 -2.331178 -0.364972
O 4.471608 2.358025 -0.376530
N 2.316838 -1.107341 0.120853
N 4.319033 0.022551 -0.375083
C -1.208643 0.354689 -0.901091
C 1.715557 0.117115 0.293912
C -2.647091 0.175259 -0.616380
C 2.334031 1.324487 0.163075
C -3.415254 1.256249 -0.099232
C -3.269514 -1.086959 -0.828356
C 3.689118 -1.226967 -0.217764
C 3.761129 1.331022 -0.207855
C -4.785117 1.081587 0.180677
C -4.640074 -1.256771 -0.547840
C -5.400058 -0.173281 -0.045549
H -0.877940 1.388819 -1.077696
H -0.759674 -0.366191 -1.600000
H 1.768111 -1.957242 0.338470
H 1.834617 2.275747 0.349229
H -2.934509 2.222833 0.088503
H -2.676449 -1.928734 -1.203303
H 5.312547 -0.013328 -0.626114
H -5.372413 1.915694 0.578317
H -5.115290 -2.229132 -0.713678
H -6.465043 -0.307527 0.173182


