%chk=000213684.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213684

0 1
S -2.906244 1.070579 -1.021706
S -2.724147 -1.638345 0.157496
N 1.981732 0.448303 0.273498
N -0.878109 0.256118 0.503994
C 1.352111 -0.897082 0.485404
C 0.012814 -0.685653 1.243845
C 1.095194 1.363007 -0.514773
C -0.218783 1.571869 0.266179
C 1.138922 -1.735144 -0.778230
C 3.331279 0.348695 -0.352215
C -2.033362 -0.141816 -0.047827
H 2.039365 -1.456843 1.177754
H -0.487190 -1.668888 1.413158
H 0.211221 -0.249244 2.250294
H 0.878639 0.992702 -1.540509
H 1.611228 2.342149 -0.625231
H -0.000336 2.027571 1.263569
H -0.871717 2.293084 -0.268507
H 2.084476 -1.974936 -1.273922
H 0.642933 -2.687038 -0.545062
H 0.497257 -1.230169 -1.510331
H 3.960043 -0.331724 0.245057
H 3.810775 1.341215 -0.318381
H 3.335705 -0.004075 -1.394403
H -4.016604 0.332764 -1.286852


%chk=000213684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213684

0 1
S -3.025302 1.199897 -0.915484
S -2.844816 -1.663875 0.263163
N 1.992141 0.424747 0.226937
N -0.862055 0.231122 0.423828
C 1.356963 -0.908342 0.451223
C 0.017361 -0.686534 1.194287
C 1.133659 1.355469 -0.534797
C -0.217334 1.547525 0.186589
C 1.161117 -1.777537 -0.821571
C 3.380000 0.370609 -0.266176
C -2.109849 -0.142154 0.007489
H 2.018923 -1.456596 1.151792
H -0.520672 -1.636491 1.338951
H 0.219017 -0.219902 2.177693
H 0.943954 1.020550 -1.583937
H 1.642486 2.336527 -0.589375
H -0.041409 2.027106 1.169066
H -0.873700 2.199669 -0.409969
H 2.111664 -1.900628 -1.370926
H 0.798905 -2.782684 -0.542035
H 0.415022 -1.339239 -1.507590
H 3.972864 -0.303718 0.377933
H 3.830895 1.378184 -0.206400
H 3.480710 0.015482 -1.320502
H -4.133342 0.397910 -1.097888


