%chk=000210296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210296

0 1
S 6.233369 -0.459605 1.230178
S 6.983969 0.640833 -0.336838
O -3.714058 0.430011 0.065818
O 5.886806 1.909281 -0.260551
O 8.241928 1.202427 0.024542
O 6.738630 -0.036864 -1.562692
N 2.326848 -0.687195 0.121013
C -5.020327 0.104092 -0.476505
C -5.821319 1.389152 -0.217531
C -5.599650 -1.105215 0.274873
C -7.300243 1.182244 -0.560109
C -7.080695 -1.296306 -0.071211
C -7.887108 -0.017485 0.197339
C -2.633533 -0.417048 -0.390464
C -1.390734 0.236540 0.217361
C -0.120508 -0.523606 -0.170122
C 1.119919 0.129677 0.461065
C 3.584526 -0.062876 0.639098
C 4.681480 -1.121229 0.542475
H -4.923892 -0.103875 -1.562425
H -5.702096 1.682454 0.844748
H -5.391848 2.221883 -0.804108
H -5.027398 -2.018629 0.036929
H -5.474101 -0.946035 1.364166
H -7.870743 2.098061 -0.315499
H -7.417153 1.031995 -1.650620
H -7.184366 -1.588944 -1.133761
H -7.497194 -2.134428 0.518588
H -7.895518 0.196205 1.283770
H -8.942711 -0.168541 -0.094422
H -2.612516 -0.421601 -1.493423
H -2.796743 -1.441099 -0.014440
H -1.338332 1.294332 -0.110419
H -1.506644 0.280638 1.319519
H -0.017740 -0.558521 -1.271922
H -0.187192 -1.580815 0.160814
H 1.203934 1.189158 0.135331
H 1.016858 0.141657 1.569619
H 2.394821 -0.796794 -0.897985
H 3.872569 0.866451 0.091719
H 3.429160 0.236290 1.701327
H 4.829687 -1.481674 -0.496949
H 4.419404 -2.020239 1.143928
H 6.245653 2.811344 -0.304723


%chk=000210296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210296

0 1
S 6.176236 -0.601424 1.489837
S 7.446287 0.023552 -0.554820
O -3.909454 0.649152 0.232036
O 7.550972 1.851144 -0.209935
O 8.964225 -0.524978 -0.671486
O 6.439690 -0.196345 -1.812389
N 2.287705 -0.192591 0.163853
C -5.190851 0.196343 -0.349811
C -6.223220 1.284903 -0.012085
C -5.632158 -1.182217 0.192964
C -7.630361 0.908030 -0.538107
C -7.035229 -1.564192 -0.343266
C -8.080235 -0.474060 -0.006790
C -2.738722 -0.100718 -0.233837
C -1.494130 0.589116 0.336909
C -0.191015 -0.141239 -0.057599
C 1.057823 0.514286 0.563461
C 3.554424 0.201807 0.787251
C 4.578338 -0.933630 0.582479
H -5.076419 0.126502 -1.459107
H -6.250720 1.404155 1.089249
H -5.886955 2.249482 -0.435176
H -4.899376 -1.964854 -0.082703
H -5.655409 -1.125486 1.299861
H -8.358790 1.688695 -0.246787
H -7.615998 0.884097 -1.647736
H -6.985990 -1.694171 -1.444723
H -7.344085 -2.540156 0.077882
H -8.207200 -0.418483 1.093970
H -9.065900 -0.745003 -0.432069
H -2.710602 -0.107062 -1.348490
H -2.780065 -1.156848 0.112424
H -1.473356 1.637791 -0.016791
H -1.591438 0.625126 1.439412
H -0.090636 -0.147857 -1.164034
H -0.231208 -1.200022 0.265074
H 1.085772 1.596191 0.284478
H 0.987042 0.475924 1.668610
H 2.354965 -0.374612 -0.845318
H 3.983546 1.152359 0.394463
H 3.371988 0.353117 1.868326
H 4.835333 -1.031675 -0.494078
H 4.187995 -1.906859 0.932348
H 8.342379 2.198809 -0.720251


