%chk=000218729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218729

0 1
S 3.539939 -0.116809 -1.208715
O -2.142403 -0.942853 2.220414
N 0.135721 1.370259 0.178247
C -2.188215 0.568618 0.392321
C -1.254052 1.498529 -0.106274
C -1.770300 -0.683553 1.098196
C -0.892607 -1.617704 0.321260
C -3.559779 0.835265 0.264215
C -1.702034 2.663060 -0.765300
C -4.000723 1.985046 -0.389664
C -1.100140 -1.823015 -1.050012
C 0.128182 -2.306712 0.990127
C -3.068104 2.895940 -0.903992
C -0.278993 -2.708800 -1.751381
C 0.954766 -3.184076 0.281777
C 0.751228 -3.384893 -1.086915
C 0.979786 0.756651 -0.588975
C 2.379015 0.704881 -0.191705
C 3.004243 1.215949 0.912001
C 4.422486 0.947845 0.938495
C 4.862499 0.239374 -0.137920
H -4.281524 0.131922 0.685936
H -0.977352 3.382675 -1.142601
H -5.066216 2.180504 -0.491533
H -1.905370 -1.298075 -1.565083
H 0.269674 -2.153836 2.062615
H -3.414374 3.796686 -1.412044
H -0.442739 -2.877076 -2.814341
H 1.754668 -3.712532 0.798582
H 1.393979 -4.071252 -1.637298
H 0.731018 0.247724 -1.539371
H 2.498551 1.769454 1.697579
H 5.048025 1.292311 1.752454
H 5.864045 -0.087808 -0.360794


%chk=000218729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218729

0 1
S 3.710978 1.661975 -1.733564
O -2.549115 -1.038558 2.137410
N 0.103897 1.085210 0.038647
C -2.263145 0.505956 0.327315
C -1.260489 1.387523 -0.193743
C -1.936721 -0.774024 1.055407
C -0.955808 -1.752946 0.482842
C -3.628324 0.872281 0.233708
C -1.670710 2.610194 -0.804076
C -4.023100 2.071086 -0.395470
C -0.667683 -1.802016 -0.906519
C -0.367793 -2.711832 1.350455
C -3.035118 2.942446 -0.913025
C 0.196644 -2.792560 -1.418844
C 0.510248 -3.688599 0.841245
C 0.793756 -3.732316 -0.546028
C 1.041340 1.423115 -0.817147
C 2.443184 1.201566 -0.516700
C 3.031656 0.647490 0.623324
C 4.462637 0.579882 0.558543
C 4.989345 1.079570 -0.628447
H -4.373064 0.199468 0.671424
H -0.907972 3.323181 -1.138097
H -5.083679 2.333827 -0.464711
H -1.137797 -1.080493 -1.583945
H -0.621144 -2.673617 2.415171
H -3.327709 3.890555 -1.378135
H 0.405338 -2.834006 -2.493553
H 0.969429 -4.418758 1.516879
H 1.471370 -4.496392 -0.943807
H 0.809420 1.862095 -1.810584
H 2.425767 0.303790 1.464147
H 5.087014 0.176253 1.358936
H 6.030247 1.152354 -0.938753


