%chk=000210389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210389

0 1
S 5.802200 -0.217515 0.327241
S 5.067184 -1.384027 1.851711
O -4.275580 0.961185 -0.462624
O 4.179212 -2.452408 0.907252
O 6.118678 -2.162373 2.415795
O 4.127688 -0.644291 2.621517
N 2.329017 0.691309 -1.589080
C -5.060382 0.198553 0.488346
C -4.185767 -0.343306 1.638435
C -5.621240 -0.932711 -0.401900
C -3.106753 -1.304790 1.128727
C -4.519401 -1.889489 -0.872678
C -3.717803 -2.448685 0.309971
C -6.193408 1.079262 1.036163
C -3.618711 2.159522 0.009246
C -2.358879 2.281658 -0.851753
C -1.201058 1.446849 -0.293936
C -0.000971 1.439958 -1.246056
C 1.148151 0.594244 -0.674987
C 3.476505 -0.151019 -1.135232
C 4.331058 0.715316 -0.209659
H -3.711200 0.496432 2.180141
H -4.832636 -0.857131 2.373747
H -6.120432 -0.482609 -1.282151
H -6.396753 -1.485982 0.157415
H -2.388398 -0.732955 0.489659
H -2.524932 -1.706314 1.977093
H -4.961264 -2.712969 -1.461455
H -3.838552 -1.339926 -1.555921
H -2.920329 -3.120250 -0.057162
H -4.370763 -3.068794 0.952350
H -6.945038 0.489303 1.568696
H -5.827064 1.842128 1.728503
H -6.701064 1.602311 0.216632
H -4.320446 2.993188 -0.170122
H -3.394122 2.090165 1.086367
H -2.064756 3.343718 -0.940120
H -2.607573 1.940858 -1.880209
H -1.564390 0.402258 -0.120079
H -0.898203 1.832239 0.697955
H 0.353532 2.475680 -1.423936
H -0.307061 1.054200 -2.237564
H 1.451618 0.987537 0.321127
H 0.811056 -0.452477 -0.510793
H 2.057570 0.418722 -2.539392
H 3.162208 -1.091349 -0.620888
H 4.068978 -0.467671 -2.022868
H 4.697777 1.621980 -0.738329
H 3.751958 1.086329 0.661934
H 4.281739 -3.400364 1.094573


%chk=000210389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210389

0 1
S 6.101130 -0.179766 -0.344431
S 5.437405 -1.214977 1.856004
O -3.997376 0.800648 -0.232396
O 5.389162 -2.991494 1.290486
O 6.476888 -1.156537 3.098618
O 3.902606 -0.730529 2.111709
N 2.437005 0.862690 -1.970054
C -5.246849 0.220903 0.353252
C -4.979743 -0.370691 1.765000
C -5.605012 -0.913290 -0.639405
C -3.915554 -1.491899 1.744758
C -4.552134 -2.045835 -0.657721
C -4.311987 -2.617102 0.759760
C -6.364827 1.284652 0.390543
C -3.377832 1.923545 0.481003
C -2.118971 2.313982 -0.306097
C -1.042614 1.206619 -0.323141
C 0.196783 1.595654 -1.157524
C 1.295670 0.515912 -1.116025
C 3.693149 0.139893 -1.835647
C 4.472151 0.677159 -0.592589
H -4.685096 0.433420 2.467814
H -5.938459 -0.779586 2.145112
H -5.713224 -0.471719 -1.648189
H -6.592436 -1.326179 -0.349228
H -2.942666 -1.065011 1.430656
H -3.780522 -1.899693 2.765325
H -4.880057 -2.848407 -1.346775
H -3.602045 -1.638665 -1.052828
H -3.524572 -3.394944 0.730841
H -5.238921 -3.110019 1.121983
H -7.327277 0.818539 0.670842
H -6.156827 2.082427 1.127274
H -6.482434 1.749854 -0.604882
H -4.075617 2.785888 0.535103
H -3.104086 1.631622 1.518884
H -1.698937 3.238901 0.139861
H -2.419568 2.559552 -1.343880
H -1.495752 0.279679 -0.723315
H -0.729822 0.985394 0.719021
H 0.620373 2.551666 -0.791298
H -0.114063 1.766654 -2.210712
H 1.658000 0.394540 -0.074596
H 0.860072 -0.471573 -1.404540
H 2.219339 1.276272 -2.878246
H 3.551178 -0.954411 -1.703867
H 4.295823 0.291016 -2.748177
H 4.641088 1.766781 -0.647777
H 3.866869 0.467439 0.317160
H 5.561788 -3.553476 2.104034


