%chk=000236542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236542

0 1
S -0.299397 -1.552247 0.002843
O -0.509983 -2.250488 1.240895
O -0.511834 -2.254022 -1.232896
O -0.965570 2.222800 -0.001723
N -1.272558 -0.094971 0.001469
C -2.772638 -0.108171 0.002645
C 1.193288 -0.663634 0.000486
C 0.947539 0.726723 -0.001229
C -0.521048 1.098056 -0.000591
C -3.301341 0.566945 -1.264248
C -3.299264 0.568874 1.269379
C 2.483887 -1.151839 0.000195
C 1.991311 1.635687 -0.003263
C 3.555111 -0.231871 -0.001877
C 3.311763 1.138471 -0.003577
H -3.080986 -1.189629 0.003694
H -4.395239 0.533733 -1.303533
H -3.004132 1.625746 -1.308987
H -2.920923 0.083362 -2.172088
H -2.917132 0.086840 2.177333
H -4.393078 0.535456 1.310674
H -3.002211 1.627797 1.311868
H 2.689683 -2.224311 0.001518
H 1.794607 2.710278 -0.004580
H 4.579738 -0.606034 -0.002136
H 4.146107 1.842749 -0.005172


%chk=000236542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236542

0 1
S -0.332381 -1.634800 -0.000326
O -0.586484 -2.427975 1.391203
O -0.587277 -2.429902 -1.390609
O -0.907489 2.319332 0.001586
N -1.299540 -0.000615 -0.001223
C -2.785532 -0.052879 0.002978
C 1.266192 -0.636439 -0.001288
C 0.966941 0.735671 -0.002185
C -0.486975 1.124745 -0.004776
C -3.352062 0.582562 -1.286779
C -3.344930 0.590178 1.292071
C 2.557910 -1.167587 -0.000547
C 2.035324 1.655495 -0.001695
C 3.622955 -0.229617 -0.000294
C 3.361171 1.162916 -0.000793
H -3.040927 -1.131181 0.006803
H -4.451827 0.479372 -1.294289
H -3.099657 1.654960 -1.331059
H -2.948539 0.080366 -2.182983
H -2.936520 0.093224 2.188983
H -4.444646 0.487210 1.306257
H -3.092240 1.662822 1.328648
H 2.746785 -2.244889 0.000174
H 1.810164 2.726722 -0.002553
H 4.656274 -0.590829 0.000430
H 4.199011 1.867436 -0.000636


