%chk=000216064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216064

0 1
S 1.112175 2.047180 0.044552
S 3.500834 -0.345531 0.910972
P 1.724682 0.086884 0.387531
O 0.508188 -0.292864 1.442731
O 1.180049 -0.567072 -1.048130
O -2.940027 -0.878875 0.373840
O -2.080667 2.547316 -0.859760
N -1.678069 0.327407 -1.246315
C 0.155465 1.957992 -1.496297
C -1.286868 1.666661 -1.137003
C -3.029194 -0.094192 -0.814301
C 0.671639 -1.479469 2.255949
C 1.727159 -1.843680 -1.451174
C -2.684635 -0.133557 1.584548
H 0.225252 2.970740 -1.959704
H 0.577768 1.255414 -2.245660
H -0.973984 -0.417002 -1.295121
H -3.692152 0.786979 -0.676082
H -3.446020 -0.824619 -1.542192
H -0.180574 -1.401529 2.948860
H 1.612079 -1.468897 2.822939
H 0.571211 -2.382097 1.643535
H 1.371492 -2.642883 -0.791204
H 2.824603 -1.821857 -1.506934
H 1.305441 -1.968493 -2.459973
H -3.393436 0.691948 1.692396
H -1.649336 0.232871 1.580457
H -2.833575 -0.885273 2.366342


%chk=000216064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216064

0 1
S 1.259448 2.068623 -0.095823
S 3.666340 -0.569993 1.050593
P 1.755294 -0.089831 0.450463
O 0.429724 -0.388117 1.515677
O 1.140568 -1.028892 -0.922070
O -2.950468 -0.720398 0.916195
O -2.258159 2.382727 -1.017514
N -1.626737 0.124957 -0.972169
C 0.057647 1.813821 -1.558815
C -1.379382 1.478598 -1.147297
C -2.919327 -0.374900 -0.503608
C 0.339393 -1.712377 2.185845
C 2.102883 -1.609937 -1.885795
C -2.810768 0.456533 1.795177
H 0.063599 2.801213 -2.048289
H 0.496219 1.055673 -2.225256
H -0.830023 -0.525472 -1.014813
H -3.672816 0.402706 -0.734559
H -3.157814 -1.321170 -1.014444
H -0.679040 -1.729600 2.598705
H 1.097528 -1.781983 2.984648
H 0.462081 -2.533907 1.458386
H 1.527086 -2.364270 -2.443112
H 2.945886 -2.083043 -1.351413
H 2.485761 -0.833853 -2.572383
H -3.502550 1.264687 1.486073
H -1.772191 0.834909 1.783227
H -3.070683 0.106798 2.807172


