%chk=000298356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298356

0 1
S -2.136455 0.931082 -0.000261
N 0.533365 0.265618 0.000196
N -0.855170 -1.527308 -0.000589
N 3.333299 0.465069 -0.000107
C 1.347649 -0.916602 0.000054
C -0.794725 -0.167229 -0.000096
C 0.446676 -1.996798 0.000145
C 1.132385 1.535979 0.000037
C -3.569051 -0.208612 0.000591
C 2.772440 -0.731046 -0.000217
C 2.502520 1.595732 -0.000050
C -4.795040 0.674231 0.000378
H 0.670426 -3.050514 0.000121
H 0.477661 2.410118 0.000143
H -3.521720 -0.869791 -0.887312
H -3.521389 -0.868902 0.889130
H 3.422464 -1.616698 0.000146
H 3.041169 2.550103 -0.000084
H -4.849077 1.322748 0.886517
H -4.849463 1.321770 -0.886454
H -5.710364 0.063051 0.000914


%chk=000298356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298356

0 1
S -2.125120 1.072543 -0.000971
N 0.563304 0.279059 -0.000342
N -0.876057 -1.469350 0.000101
N 3.391777 0.433799 0.000580
C 1.359063 -0.925637 0.000118
C -0.768139 -0.115226 -0.000624
C 0.418103 -1.975924 -0.000592
C 1.185628 1.531582 -0.000314
C -3.573556 -0.164863 0.000515
C 2.778283 -0.763307 0.000622
C 2.568021 1.569993 0.000147
C -4.890611 0.621232 0.000639
H 0.605383 -3.046636 -0.000679
H 0.547322 2.416845 -0.000629
H -3.453501 -0.795426 -0.893325
H -3.452652 -0.794283 0.895051
H 3.418777 -1.652165 0.000690
H 3.086760 2.531551 0.000175
H -4.984358 1.260294 0.896431
H -4.985214 1.259129 -0.895894
H -5.735612 -0.091211 0.001503


