%chk=000198110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198110

0 1
S -1.349413 -0.351442 -2.058876
S 4.498061 -0.136415 0.469352
P -1.792642 -0.181972 -0.217977
O -3.309474 -0.586361 0.228978
O -1.719763 1.200975 0.613588
O -1.099520 -1.440166 0.778462
N 0.614994 -0.096399 0.174779
N 1.872099 0.233404 0.087664
C -3.866421 -1.868972 -0.249076
C -1.146069 2.403222 -0.050905
C -4.753589 -1.541521 -1.439301
C -4.634983 -2.361579 0.969309
C -0.630859 3.179041 1.151330
C -2.284656 3.092012 -0.785483
C 0.238480 -1.273826 0.791441
C 1.162520 -2.176092 1.358407
C 2.498600 -1.816182 1.253209
C 2.818663 -0.596996 0.604033
C 4.477751 1.378988 -0.553092
C 5.927225 1.769327 -0.732761
H -3.048860 -2.574645 -0.519901
H -0.314661 2.110209 -0.734746
H -5.445860 -2.359074 -1.665704
H -4.166955 -1.343274 -2.348184
H -5.352960 -0.640698 -1.247050
H -5.182325 -3.285086 0.758324
H -3.956835 -2.545290 1.813424
H -5.356721 -1.606118 1.310552
H -0.266494 4.170906 0.866410
H 0.192733 2.638560 1.638471
H -1.417433 3.306311 1.908187
H -2.061471 4.149055 -0.970056
H -2.491641 2.632500 -1.761702
H -3.216319 3.052365 -0.202667
H 0.826791 -3.092062 1.839907
H 3.286807 -2.454773 1.657968
H 3.888665 2.168263 -0.047231
H 3.973856 1.176394 -1.518964
H 6.428487 1.982216 0.222020
H 6.511956 0.992144 -1.245601
H 6.008938 2.680550 -1.343838


%chk=000198110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198110

0 1
S -1.789731 -0.279842 -2.413651
S 4.792748 -0.335807 0.503704
P -2.084831 -0.119698 -0.377399
O -3.555276 -0.676939 0.288669
O -2.071621 1.390352 0.412882
O -1.044452 -1.245144 0.606244
N 0.807017 0.090713 0.083068
N 2.164341 0.320144 0.054420
C -4.128805 -1.994354 -0.191496
C -1.280729 2.547236 -0.178621
C -5.322458 -1.671398 -1.096369
C -4.487956 -2.768586 1.079107
C -0.705785 3.275957 1.036973
C -2.237894 3.387062 -1.029765
C 0.326005 -1.075773 0.587295
C 1.156973 -2.107062 1.108367
C 2.532990 -1.878227 1.084170
C 3.002098 -0.641345 0.542569
C 4.850026 1.379996 -0.318825
C 6.318148 1.803723 -0.448951
H -3.345872 -2.528839 -0.765774
H -0.465614 2.113356 -0.786065
H -5.812344 -2.606541 -1.426284
H -4.994118 -1.113479 -1.989705
H -6.061473 -1.062234 -0.547306
H -4.932475 -3.745609 0.813223
H -3.589972 -2.939696 1.695811
H -5.222064 -2.201191 1.677145
H -0.133965 4.161127 0.702328
H -0.028714 2.610605 1.597033
H -1.514957 3.613576 1.708043
H -1.701617 4.266473 -1.432798
H -2.627221 2.801127 -1.880133
H -3.086955 3.743660 -0.420633
H 0.718672 -3.026321 1.502609
H 3.237909 -2.623002 1.464759
H 4.263358 2.062848 0.314730
H 4.343579 1.288264 -1.291967
H 6.811793 1.873364 0.536612
H 6.892124 1.098984 -1.076361
H 6.369819 2.800017 -0.924964


