%chk=000181605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181605

0 1
S 2.845557 -0.284233 -0.335383
O -1.712242 -2.180958 0.315249
N 0.351678 -1.226533 0.006308
N 0.586558 1.139446 -0.350473
N -3.077417 0.411171 0.059422
N -1.279072 2.573447 -0.390872
C -1.113708 -1.139988 0.117380
C -1.651888 0.186474 -0.026594
C 1.093923 -0.082437 -0.218459
C -0.814673 1.290805 -0.253286
C 1.001675 -2.550788 0.140391
C 3.466620 1.377978 -0.628741
H 0.220371 -3.325258 0.305552
H 1.684735 -2.576795 1.006342
H 1.552271 -2.823130 -0.775869
H -3.419379 0.088290 0.965040
H -3.554132 -0.148108 -0.648769
H -0.651237 3.338863 -0.563036
H -2.272815 2.753207 -0.340185
H 3.206162 2.062590 0.191589
H 3.057521 1.810313 -1.553548
H 4.559593 1.320546 -0.713755


%chk=000181605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181605

0 1
S 2.932290 -0.335574 -0.339471
O -1.764404 -2.215701 0.327199
N 0.373327 -1.234356 0.003339
N 0.615443 1.127309 -0.354128
N -3.050329 0.428076 0.058197
N -1.271488 2.535421 -0.396409
C -1.094062 -1.153066 0.117048
C -1.628906 0.177667 -0.027766
C 1.117470 -0.094178 -0.221790
C -0.766603 1.269290 -0.257833
C 0.993305 -2.568529 0.140934
C 3.462506 1.440668 -0.632175
H 0.167602 -3.277501 0.309730
H 1.687659 -2.590348 0.999341
H 1.540440 -2.842106 -0.778442
H -3.436146 0.185025 0.980937
H -3.580470 -0.069165 -0.670505
H -0.646092 3.318259 -0.565141
H -2.285513 2.632856 -0.327118
H 3.149718 2.062558 0.217279
H 3.004067 1.813614 -1.557813
H 4.560288 1.404682 -0.717110


