%chk=000220053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220053

0 1
S 1.039623 0.570087 -1.338207
O -1.601600 -0.365976 -0.015454
O -2.261779 1.690765 -0.703002
N 2.280345 -0.484668 2.281547
C 1.120958 -1.193248 -0.921750
C 0.045886 1.290861 -0.017449
C 2.380657 -1.496993 -0.121555
C -2.955762 -0.894209 -0.195626
C -1.386792 0.967658 -0.297408
C -3.824289 -0.483060 0.973883
C 2.324649 -0.933362 1.217511
H 0.198654 -1.510605 -0.383411
H 1.122427 -1.747017 -1.883309
H 0.359168 0.946470 0.991712
H 0.208595 2.393493 -0.032164
H 3.288772 -1.110701 -0.649736
H 2.530066 -2.603208 -0.052008
H -3.345961 -0.533487 -1.164338
H -2.753831 -1.979749 -0.229770
H -4.795568 -0.991358 0.951841
H -3.346517 -0.715338 1.934648
H -4.020202 0.600147 0.963244


%chk=000220053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220053

0 1
S 1.159034 0.623082 -1.466830
O -1.680073 -0.377179 0.035762
O -2.286326 1.724554 -0.792097
N 2.306434 -0.437357 2.339149
C 1.287922 -1.205412 -0.992774
C 0.035772 1.291357 -0.079249
C 2.500986 -1.530239 -0.086039
C -3.089543 -0.852510 -0.153191
C -1.419640 0.953296 -0.324685
C -3.944243 -0.500554 1.066799
C 2.401864 -0.927593 1.255358
H 0.331588 -1.494348 -0.528194
H 1.394966 -1.740040 -1.951081
H 0.391175 0.896294 0.883227
H 0.170184 2.382094 -0.117642
H 3.433526 -1.176279 -0.563171
H 2.588242 -2.629308 0.031172
H -3.491557 -0.394778 -1.073981
H -2.980116 -1.941088 -0.283937
H -4.954978 -0.933943 0.950669
H -3.498409 -0.905974 1.991312
H -4.049309 0.592426 1.168622


