%chk=000276652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276652

0 1
S 4.498061 -1.155544 1.050464
S 1.903907 -2.349691 1.849941
O 2.893111 1.973151 -0.543218
O -3.089908 -1.613030 -2.412807
O -1.075463 -2.086921 -1.579600
N 2.233390 -0.010319 0.529893
N 0.915037 0.403881 0.479519
C -1.438771 0.165554 0.351160
C 4.607945 0.444467 0.215259
C 3.209629 0.954101 -0.003180
C -2.404829 -0.315386 -0.560395
C 2.728893 -1.167228 1.130247
C -0.077933 -0.430111 0.387693
C -1.781739 1.195399 1.239363
C -3.693424 0.243082 -0.569068
C -3.068676 1.740232 1.224556
C -4.025437 1.264544 0.322515
C -2.071019 -1.398966 -1.508251
H 5.145621 0.348642 -0.753738
H 5.198621 1.166380 0.821051
H -0.049869 -1.536722 0.306450
H -1.032277 1.578446 1.936490
H -4.434464 -0.129694 -1.283913
H -3.324295 2.542687 1.918692
H -5.027868 1.691804 0.311712
H -2.869841 -2.343255 -3.054937


%chk=000276652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276652

0 1
S 4.483251 -1.392723 0.961525
S 1.665530 -2.554639 1.353892
O 3.076775 2.210885 0.022963
O -3.412459 -2.051672 -2.001769
O -1.108809 -1.994691 -1.875971
N 2.281248 0.045105 0.557354
N 0.953721 0.561519 0.627707
C -1.376120 0.287255 0.117593
C 4.695056 0.418238 0.475705
C 3.303489 1.022078 0.325473
C -2.444760 -0.360354 -0.591021
C 2.656249 -1.265085 0.929270
C 0.030363 -0.160075 0.018440
C -1.685732 1.394026 0.956944
C -3.775051 0.112854 -0.428652
C -3.005998 1.857182 1.097580
C -4.058319 1.211117 0.405064
C -2.211536 -1.510645 -1.514511
H 5.241733 0.491384 -0.477174
H 5.250433 0.951308 1.263030
H 0.245070 -1.048176 -0.585901
H -0.860278 1.873459 1.490999
H -4.577149 -0.393104 -0.970585
H -3.217554 2.714140 1.745816
H -5.089898 1.561303 0.514473
H -3.190853 -2.805185 -2.612345


