%chk=000224935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224935

0 1
S 3.366510 1.130389 -0.281592
O -0.948411 -1.868032 0.451958
O 0.520880 2.780701 0.696174
O 2.650096 -1.338445 0.388071
N 0.219375 0.490471 0.620903
N 3.982204 -1.165720 -1.474344
C -1.159781 0.458920 0.244757
C -1.797822 -0.819504 0.153181
C -1.917327 1.599080 -0.033258
C -3.137030 -0.936041 -0.204759
C -3.268344 1.478825 -0.392907
C 0.967314 1.654690 0.815294
C -3.872175 0.228472 -0.478377
C 2.408687 1.406445 1.218590
C -1.484132 -3.210519 0.389752
C 3.273963 -0.670105 -0.406294
H 0.674549 -0.435982 0.723929
H -1.457115 2.593299 0.030861
H -3.620010 -1.905311 -0.273663
H -3.840696 2.380473 -0.604698
H -4.920880 0.142730 -0.757781
H 2.813722 2.312013 1.726282
H 2.521928 0.569166 1.942211
H -1.815600 -3.441020 -0.626517
H -2.288100 -3.332149 1.121315
H -0.605399 -3.809686 0.665085
H 4.476715 -0.583989 -2.131893
H 3.985780 -2.159769 -1.660982


%chk=000224935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224935

0 1
S 3.506306 1.097403 -0.330127
O -0.862203 -1.808898 0.400480
O 0.525421 2.929622 0.715867
O 2.439652 -1.364589 0.353331
N 0.178827 0.599142 0.601434
N 4.005055 -1.354545 -1.374914
C -1.196067 0.542639 0.256111
C -1.768632 -0.764573 0.144078
C -2.017553 1.672630 0.024839
C -3.125184 -0.934443 -0.195175
C -3.379561 1.497457 -0.314189
C 0.946874 1.735122 0.804783
C -3.933641 0.205310 -0.425243
C 2.403715 1.441793 1.176746
C -1.343329 -3.183781 0.288211
C 3.238829 -0.752971 -0.406067
H 0.657107 -0.314283 0.677658
H -1.577277 2.666890 0.116606
H -3.557106 -1.936238 -0.279904
H -4.003828 2.379619 -0.490898
H -4.988846 0.074648 -0.688248
H 2.837536 2.338233 1.641582
H 2.506861 0.565007 1.837251
H -1.701519 -3.399340 -0.737248
H -2.154501 -3.383850 1.014924
H -0.471200 -3.812199 0.519874
H 4.653218 -0.826273 -1.956891
H 3.909949 -2.360130 -1.513573


