%chk=000194488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194488

0 1
S -4.094460 -2.396465 3.153475
O 0.749586 0.765868 -0.433892
O 1.935194 -0.258900 1.423086
O -2.700886 -0.638120 -0.907105
O -1.241927 1.919298 1.874962
O 2.617998 2.751703 -0.743911
O 5.030393 1.079753 -1.106031
O 4.685041 -1.732210 -0.637389
O -3.136996 2.171642 -1.324642
O -1.347202 -2.057124 -2.901255
O 1.524052 -2.988375 2.004860
N -3.320112 -0.295131 1.399600
C -0.634300 0.430020 -0.043896
C -1.399258 1.695386 0.432116
C 1.658054 0.974402 0.714721
C -1.307311 -0.207179 -1.271372
C 2.932400 1.593499 0.103092
C 3.726121 0.546253 -0.700760
C 4.009587 -0.699482 0.148009
C -2.906351 1.662098 0.028203
C 2.678704 -1.295136 0.632848
C -3.427707 0.212955 0.012635
C -0.628560 -1.491246 -1.762036
C 2.833120 -2.481909 1.583685
C -3.689617 -1.228829 2.109659
H -0.600690 -0.313639 0.779013
H -0.933209 2.580924 -0.035345
H 1.181381 1.629412 1.463609
H -1.397024 0.524507 -2.095470
H 3.566173 1.991210 0.913693
H 3.137897 0.248620 -1.596265
H 4.633990 -0.396551 1.017432
H -3.468346 2.242677 0.787684
H 2.061254 -1.589851 -0.237213
H -4.484875 0.170506 -0.304637
H -0.554608 -2.217279 -0.923604
H 0.382070 -1.258608 -2.132469
H 3.449861 -2.183356 2.457865
H 3.329674 -3.309896 1.056306
H -1.708241 1.181721 2.351368
H 1.836180 2.487173 -1.299900
H 4.878308 1.953737 -1.550067
H 5.444951 -1.296217 -1.103701
H -3.033468 3.155912 -1.327058
H -2.291982 -2.185077 -2.627270
H 1.050441 -2.238396 2.448868


%chk=000194488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194488

0 1
S -4.100300 -2.390941 3.154646
O 0.749277 0.763712 -0.432947
O 1.936239 -0.261434 1.423051
O -2.702347 -0.637404 -0.907177
O -1.242569 1.919945 1.874536
O 2.615381 2.751633 -0.741697
O 5.029679 1.082801 -1.105408
O 4.687753 -1.729880 -0.638683
O -3.134772 2.172251 -1.326855
O -1.348495 -2.059590 -2.898954
O 1.528492 -2.992357 2.002151
N -3.322525 -0.292348 1.399064
C -0.635015 0.429180 -0.043197
C -1.399084 1.695475 0.431688
C 1.657673 0.972162 0.715739
C -1.307987 -0.208228 -1.270637
C 2.931258 1.593177 0.104427
C 3.726087 0.547474 -0.700350
C 4.011089 -0.698531 0.147465
C -2.905905 1.663474 0.026588
C 2.680971 -1.296171 0.631926
C -3.428768 0.214895 0.011713
C -0.630151 -1.493387 -1.759715
C 2.836931 -2.483491 1.581805
C -3.693554 -1.224967 2.109740
H -0.602310 -0.314059 0.780124
H -0.931836 2.580305 -0.035911
H 1.180406 1.626085 1.465198
H -1.396313 0.522934 -2.095339
H 3.564675 1.990987 0.915252
H 3.138036 0.249863 -1.595971
H 4.635176 -0.395441 1.017066
H -3.467916 2.245225 0.785156
H 2.063811 -1.590984 -0.238302
H -4.485786 0.173292 -0.306184
H -0.557613 -2.218734 -0.920560
H 0.381028 -1.262089 -2.129508
H 3.452935 -2.184679 2.456422
H 3.334918 -3.310284 1.053912
H -1.709739 1.182964 2.351017
H 1.833747 2.486582 -1.297713
H 4.876520 1.956733 -1.549184
H 5.447166 -1.292666 -1.104654
H -3.031009 3.156490 -1.329737
H -2.293720 -2.185947 -2.625753
H 1.053765 -2.243725 2.447253


