%chk=000272101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272101

0 1
S 2.731546 0.156120 1.377147
O -1.654485 1.540746 -0.821665
O 3.156374 0.803705 2.585779
O 1.460322 -0.518617 1.364030
O 3.881608 1.686674 -1.942422
O -2.369813 -1.049600 -1.910718
O -3.550870 2.150219 1.286020
N 2.766697 1.320605 0.069614
N -2.684586 0.735834 -0.394467
C 1.849224 2.480373 -0.037730
C 3.990352 -0.805183 0.665204
C 4.420072 -0.247419 -0.560103
C 0.576422 2.150914 -0.826107
C 3.698572 1.022439 -0.950553
C -0.421357 1.318388 -0.028692
C 4.559073 -1.965790 1.148152
C 5.418429 -0.848041 -1.306793
C 5.578723 -2.585781 0.392613
C 6.000203 -2.035807 -0.813961
C -4.301231 -0.908483 -0.388653
C -4.663629 0.067437 0.582752
C -3.011616 -0.507890 -1.056332
C -3.631901 1.163805 0.609651
C -5.084064 -2.021089 -0.608018
C -5.809375 -0.067375 1.336424
C -6.262324 -2.161334 0.163995
C -6.615985 -1.208816 1.111928
H 2.391650 3.311969 -0.554332
H 1.609599 2.841877 0.988249
H 0.084766 3.098137 -1.144651
H 0.828818 1.632803 -1.776117
H -0.176919 0.241125 -0.000392
H -0.597712 1.692544 0.992151
H 4.238857 -2.409665 2.093314
H 5.745965 -0.412704 -2.254027
H 6.034639 -3.504469 0.764834
H 6.788686 -2.522137 -1.392329
H -4.809598 -2.771503 -1.350667
H -6.089960 0.677743 2.082207
H -6.896184 -3.035088 0.004495
H -7.527988 -1.333367 1.697973


%chk=000272101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272101

0 1
S 2.680843 0.202870 1.543969
O -1.666306 1.702163 -0.953749
O 3.265805 1.049266 2.796540
O 1.260103 -0.557329 1.733069
O 3.736624 1.539365 -2.067175
O -2.152378 -1.037103 -1.907262
O -3.723495 2.304217 1.066267
N 2.658440 1.312061 0.000988
N -2.675995 0.824225 -0.494666
C 1.922689 2.587583 0.009944
C 3.950104 -0.885953 0.675961
C 4.243052 -0.367081 -0.596540
C 0.576888 2.528289 -0.746527
C 3.546939 0.903549 -0.991916
C -0.449293 1.620582 -0.068169
C 4.506414 -2.053329 1.204072
C 5.166797 -1.058146 -1.406869
C 5.434559 -2.737122 0.376795
C 5.758245 -2.243218 -0.911229
C -4.138045 -0.959514 -0.396178
C -4.609440 0.039625 0.493888
C -2.883054 -0.476560 -1.061314
C -3.682453 1.218138 0.445970
C -4.815289 -2.177320 -0.552573
C -5.772560 -0.150202 1.254394
C -5.994981 -2.377376 0.211432
C -6.466147 -1.379359 1.100977
H 2.577293 3.338009 -0.470725
H 1.782110 2.893957 1.064779
H 0.172551 3.556671 -0.803018
H 0.752463 2.184983 -1.781156
H -0.115024 0.569549 -0.011329
H -0.726289 1.980000 0.940781
H 4.246941 -2.426844 2.198698
H 5.401227 -0.659798 -2.399111
H 5.902637 -3.656571 0.742325
H 6.476117 -2.788760 -1.531731
H -4.440511 -2.940308 -1.241938
H -6.126129 0.627382 1.938613
H -6.551183 -3.315805 0.113852
H -7.379269 -1.561487 1.677663


