%chk=000293022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293022

0 1
S 2.314545 0.816460 0.904189
O -4.982901 -0.770918 0.089558
O -4.786463 1.366296 -0.179302
N 2.074347 -1.135308 -0.826812
N -4.322280 0.244451 -0.056781
C 3.940122 0.068835 0.369063
C 3.530520 -1.047465 -0.633559
C 4.745246 1.172152 -0.287592
C 4.607067 -0.483249 1.612808
C 1.378844 -0.294253 -0.151305
C -0.081837 -0.153195 -0.138906
C -0.887341 -1.295661 0.011752
C -0.665335 1.118470 -0.270368
C -2.275568 -1.169404 0.039469
C -2.053196 1.250805 -0.245130
C -2.847993 0.105227 -0.087458
H 3.995875 -0.885935 -1.634350
H 3.888833 -2.048610 -0.296848
H 5.720157 0.805610 -0.637022
H 4.230707 1.606017 -1.156828
H 4.951752 2.003021 0.401733
H 4.813850 0.299674 2.356195
H 3.990182 -1.239702 2.118790
H 5.571217 -0.954173 1.377483
H -0.422730 -2.281255 0.098002
H -0.037534 2.004562 -0.395258
H -2.919479 -2.048497 0.156584
H -2.527004 2.233942 -0.346108


%chk=000293022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293022

0 1
S 2.375340 0.898794 1.193808
O -4.962614 -0.620349 -1.055801
O -4.873578 1.375886 0.045139
N 2.027332 -1.351477 -0.289697
N -4.319771 0.312369 -0.435280
C 3.972775 0.063922 0.465449
C 3.458564 -1.364447 0.082097
C 4.395009 0.862144 -0.784270
C 5.077466 0.024296 1.533761
C 1.377021 -0.339321 0.216823
C -0.082207 -0.149346 0.058972
C -0.839175 -1.148976 -0.616486
C -0.742088 1.001377 0.567739
C -2.225946 -1.003814 -0.783023
C -2.131689 1.158476 0.411185
C -2.854357 0.151776 -0.264150
H 4.052579 -1.768651 -0.758024
H 3.574903 -2.057661 0.940991
H 5.311582 0.418887 -1.221755
H 3.603182 0.848517 -1.553382
H 4.610458 1.914114 -0.529834
H 5.424830 1.039328 1.794340
H 4.730451 -0.472271 2.456105
H 5.949061 -0.535655 1.142805
H -0.312714 -2.027466 -0.999989
H -0.165214 1.779072 1.079277
H -2.827404 -1.756783 -1.298547
H -2.660191 2.035152 0.793743


