%chk=000189682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189682

0 1
S -3.110372 2.072735 0.414897
S -4.303387 0.375099 0.306410
O 0.616494 2.217575 2.643379
O 2.275410 -2.181562 0.327184
O 2.649235 2.436355 0.805257
O -1.988847 -2.106854 1.084621
O -1.096018 1.594457 -2.383196
O -3.086694 -2.940202 -1.633292
N -1.289241 0.074496 0.789894
N -2.530140 -0.060228 -1.710330
C -0.186767 0.173589 1.798286
C 0.551129 1.501656 1.415418
C -1.474215 1.310568 0.025693
C -0.348724 2.253720 0.398966
C 0.682540 -1.093439 1.822401
C 2.000223 1.410700 0.823263
C 2.386959 0.105129 0.377424
C 3.514964 -0.243658 -0.577739
C 1.773082 -1.027298 0.827561
C -3.137902 -0.749709 -0.590886
C -2.091273 -1.038251 0.519148
C -1.636707 1.002249 -1.480982
C 3.402938 -1.820327 -0.617917
C 3.247772 0.322205 -1.975273
C 4.853082 0.264890 -0.045910
C -3.940492 -1.998363 -0.994676
C 4.583492 -2.624663 -0.134708
H -0.652415 0.317034 2.816747
H -0.706125 3.198796 0.865190
H 0.215476 2.582795 -0.504516
H 0.054208 -2.014705 1.693055
H 1.121760 -1.220267 2.842353
H 3.014938 -2.187052 -1.590117
H -2.723527 -0.387208 -2.660120
H 1.274490 2.962313 2.574184
H 3.269850 1.421625 -1.956525
H 3.999892 -0.001506 -2.701138
H 2.260033 0.038880 -2.356629
H 5.085310 -0.140311 0.944676
H 5.683682 0.031499 -0.717282
H 4.816705 1.361438 0.070669
H -4.702620 -1.768710 -1.769081
H -4.426270 -2.461262 -0.110505
H 4.885871 -2.345662 0.884334
H 4.346855 -3.698190 -0.109423
H 5.455129 -2.488888 -0.788024
H -2.483483 -3.356283 -0.962938


%chk=000189682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189682

0 1
S -3.360485 2.028118 0.467861
S -4.439018 0.049470 0.003081
O 0.833316 2.415175 2.707106
O 2.201111 -2.147080 0.682515
O 2.427171 2.543372 0.344516
O -1.801716 -2.116269 1.127238
O -0.960072 1.887566 -2.257966
O -2.200842 -3.101866 -1.509695
N -1.235469 0.157341 0.837978
N -2.183990 -0.042720 -1.736024
C -0.251699 0.370798 1.940051
C 0.476201 1.678241 1.494915
C -1.541171 1.385922 0.102535
C -0.575834 2.453729 0.632840
C 0.684436 -0.839728 2.163356
C 1.783910 1.482307 0.658250
C 2.176616 0.139434 0.327939
C 3.320544 -0.331289 -0.581393
C 1.663008 -0.930438 1.034614
C -2.818907 -0.839236 -0.716236
C -1.904883 -1.005286 0.517391
C -1.510863 1.131599 -1.417370
C 3.047408 -1.884057 -0.583306
C 3.225965 0.242852 -2.015221
C 4.680106 0.057066 0.061953
C -3.316647 -2.209707 -1.230977
C 4.225427 -2.846194 -0.564299
H -0.793751 0.589294 2.880270
H -1.091679 3.159004 1.307944
H -0.119199 3.013976 -0.198480
H 0.103909 -1.768961 2.269911
H 1.230411 -0.665445 3.110531
H 2.351285 -2.125999 -1.410353
H -2.305699 -0.285504 -2.723293
H 1.510494 3.094206 2.438105
H 3.346224 1.339169 -1.990205
H 4.021767 -0.177208 -2.658795
H 2.247360 0.019682 -2.477524
H 4.790226 -0.367908 1.076307
H 5.526476 -0.292937 -0.556939
H 4.740545 1.155692 0.142422
H -3.854114 -2.075241 -2.184383
H -4.007703 -2.638401 -0.479658
H 4.889558 -2.658932 0.294762
H 3.868212 -3.888788 -0.512185
H 4.814370 -2.733023 -1.492635
H -1.806016 -3.346590 -0.627650


