%chk=000200741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200741

0 1
S 3.638808 0.466596 -0.944051
O -2.036274 0.615526 0.608888
O -2.946891 -0.378603 -1.268900
N -4.210128 0.075727 0.660242
N 5.096920 -0.175829 1.420049
C -0.090224 -0.779356 0.062926
C 1.288816 -0.800187 -0.254635
C -0.708589 0.477618 0.181561
C 1.961317 0.422197 -0.429680
C -0.036553 1.696078 0.012640
C -0.887726 -2.022756 0.261201
C 1.321527 1.658882 -0.288298
C 2.031345 -2.085283 -0.389816
C -3.081808 0.059797 -0.152850
C -5.538109 -0.023633 0.014387
C 4.474997 0.083787 0.482633
H -0.574921 2.635075 0.124358
H -1.544847 -2.202577 -0.609578
H -0.258922 -2.917147 0.383266
H -1.530867 -1.954689 1.150740
H 1.875463 2.592116 -0.416697
H 2.529942 -2.169203 -1.368901
H 2.811777 -2.185993 0.381440
H 1.378840 -2.968177 -0.292479
H -4.171232 0.591923 1.540146
H -5.474707 -0.617423 -0.919085
H -5.961877 0.962744 -0.237743
H -6.228278 -0.547611 0.699236


%chk=000200741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200741

0 1
S 3.718433 0.563704 -1.071882
O -2.067129 0.603493 0.746692
O -2.920399 -0.365575 -1.255649
N -4.301973 0.295201 0.535684
N 5.194467 -0.514102 1.243294
C -0.074606 -0.741028 0.161343
C 1.290982 -0.764945 -0.266264
C -0.716946 0.516339 0.293434
C 1.946732 0.478142 -0.470984
C -0.055480 1.738740 0.072082
C -0.820444 -2.024153 0.469256
C 1.301292 1.720972 -0.300294
C 2.000320 -2.089762 -0.469013
C -3.108581 0.119586 -0.118135
C -5.583951 -0.078982 -0.068342
C 4.567677 -0.071817 0.321561
H -0.599332 2.678216 0.202051
H -1.238314 -2.466782 -0.454351
H -0.161686 -2.770745 0.942740
H -1.664573 -1.832806 1.152498
H 1.849139 2.654406 -0.455782
H 2.852309 -1.985442 -1.160573
H 2.402011 -2.479212 0.486807
H 1.316997 -2.851613 -0.878644
H -4.269952 0.720246 1.462850
H -5.379997 -0.516054 -1.058448
H -6.237563 0.802817 -0.199359
H -6.111632 -0.829244 0.548428


