%chk=000277133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277133

0 1
S -1.561284 -1.809765 0.000034
O -1.706280 -2.555087 -1.235605
O -1.706246 -2.554955 1.235757
N 4.489863 1.294477 -0.000113
C -0.057683 -0.912222 -0.000026
C -0.319970 0.506351 -0.000049
C -1.779393 0.787727 -0.000086
C -2.565710 -0.392328 -0.000030
C 1.193915 -1.446257 -0.000033
C 0.732029 1.395810 -0.000031
C 2.322783 -0.527258 -0.000069
C 2.080602 0.867602 -0.000055
C -2.424848 2.021839 -0.000188
C -3.945590 -0.352346 -0.000047
C 1.446479 -2.913470 -0.000014
C 0.534369 2.874563 0.000032
C 3.672125 -0.985391 -0.000111
C 3.232877 1.730222 -0.000076
C -3.831509 2.066759 -0.000203
C -4.589995 0.898993 -0.000130
C 4.706633 -0.070351 -0.000132
H -1.872065 2.957758 -0.000274
H -4.537693 -1.270702 0.000000
H 0.531643 -3.530806 0.000226
H 2.013709 -3.226617 -0.890996
H 2.014127 -3.226543 0.890723
H -0.025833 3.201367 -0.891030
H -0.025634 3.201299 0.891245
H 1.476164 3.445454 -0.000051
H 3.883206 -2.053800 -0.000127
H 3.088658 2.823079 -0.000063
H -4.330096 3.037698 -0.000274
H -5.677616 0.947666 -0.000141
H 5.759761 -0.372968 -0.000164


%chk=000277133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277133

0 1
S -1.593155 -1.918757 -0.000073
O -1.765515 -2.748442 -1.397811
O -1.765530 -2.748463 1.397653
N 4.560510 1.296064 -0.000069
C -0.005480 -0.873704 -0.000058
C -0.313061 0.527784 -0.000088
C -1.781961 0.812767 -0.000075
C -2.613277 -0.335108 -0.000072
C 1.245315 -1.458766 -0.000031
C 0.766780 1.439315 -0.000102
C 2.356223 -0.532246 -0.000042
C 2.115572 0.898847 -0.000068
C -2.469532 2.058305 -0.000049
C -4.007437 -0.339740 -0.000067
C 1.465151 -2.956032 0.000009
C 0.533564 2.939597 -0.000142
C 3.710890 -0.991055 -0.000037
C 3.287338 1.738934 -0.000078
C -3.882107 2.098079 -0.000045
C -4.658185 0.917122 -0.000055
C 4.758927 -0.070730 -0.000050
H -1.929141 3.002889 -0.000033
H -4.571510 -1.277153 -0.000066
H 0.520459 -3.519900 0.000182
H 2.035920 -3.268705 -0.893152
H 2.036184 -3.268617 0.893030
H -0.036216 3.252277 -0.893946
H -0.036249 3.252323 0.893628
H 1.466747 3.516937 -0.000146
H 3.928551 -2.061980 -0.000028
H 3.190535 2.828255 -0.000098
H -4.382158 3.072221 -0.000028
H -5.751004 0.971295 -0.000044
H 5.804350 -0.395815 -0.000049


