%chk=000182465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182465

0 1
S 2.191420 0.887073 -0.039422
O 2.451231 -1.594950 -0.721810
O 2.232863 1.735248 -1.196788
O 2.424475 1.424167 1.273715
O -1.503166 -0.408951 0.006121
O -2.836693 1.155465 1.136158
N -0.423564 0.461713 0.051230
N -3.691454 -0.278960 -0.509698
C 1.117496 -1.565809 -0.142683
C 0.712868 -0.117406 -0.036694
C 3.281475 -0.518479 -0.263918
C 1.095783 -2.266245 1.204573
C -2.738871 0.296368 0.305978
C -5.125664 -0.022460 -0.261933
H 0.534536 -2.117283 -0.919852
H 3.812404 -0.829709 0.653181
H 4.028961 -0.403274 -1.071685
H 1.636832 -1.712597 1.983302
H 0.067191 -2.401247 1.566088
H 1.563680 -3.257974 1.133587
H -3.447445 -1.021489 -1.158356
H -5.262263 0.860952 0.393392
H -5.613722 -0.885070 0.223093
H -5.633873 0.189118 -1.219479


%chk=000182465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182465

0 1
S 2.426862 1.034646 0.110718
O 2.443465 -1.525636 -0.911606
O 2.563080 2.105081 -1.104696
O 2.636332 1.477202 1.665919
O -1.517405 -0.308264 -0.069730
O -2.910921 1.609182 0.377392
N -0.364890 0.625806 0.025901
N -3.772055 -0.502012 -0.221154
C 1.076886 -1.487005 -0.260329
C 0.736149 -0.034409 -0.069653
C 3.388700 -0.731836 -0.232331
C 1.027375 -2.303346 1.042480
C -2.793043 0.418056 0.058783
C -5.197564 -0.158929 -0.143672
H 0.421886 -1.925622 -1.030844
H 3.636396 -1.034990 0.799532
H 4.243454 -0.511635 -0.883506
H 1.634385 -1.846258 1.842782
H -0.016275 -2.349360 1.398766
H 1.384645 -3.329614 0.853735
H -3.485642 -1.441117 -0.498093
H -5.279651 0.898801 0.151271
H -5.716455 -0.778900 0.609743
H -5.691211 -0.291641 -1.123309


