%chk=000258920.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258920

0 1
S -2.332304 1.365388 -2.935128
P -1.768766 0.598478 -1.264955
O 4.451876 -1.366664 -0.169984
O 5.151057 0.274105 1.216832
N -0.370757 -0.503307 -1.341272
N -1.033118 1.752348 -0.120722
C 0.683405 0.138809 -0.601941
C 0.321334 1.367180 0.053948
C -3.043819 -0.285432 -0.299234
C 1.961415 -0.384199 -0.450247
C 1.255375 2.052334 0.833852
C 2.887564 0.313073 0.349221
C -2.665669 -0.977080 0.854004
C -4.370825 -0.253672 -0.730470
C 2.537936 1.514854 0.981279
C -3.644186 -1.651270 1.593293
C -5.342633 -0.930630 0.016352
C -4.978942 -1.626304 1.174040
C 4.261653 -0.199575 0.545608
C 5.765898 -1.977334 -0.063523
H -0.083128 -0.863244 -2.269361
H -1.241386 2.759848 -0.171555
H 2.253381 -1.318552 -0.937385
H 0.988793 2.984646 1.327955
H -1.625663 -1.009002 1.192689
H -4.676667 0.281984 -1.636719
H 3.281175 2.034741 1.595203
H -3.365814 -2.195667 2.494195
H -6.382451 -0.915560 -0.306838
H -5.739038 -2.152598 1.752365
H 5.669944 -2.859630 -0.704386
H 5.962307 -2.245244 0.979531
H 6.525453 -1.280726 -0.432647


%chk=000258920-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258920

0 1
S -2.479407 1.432319 -3.050716
P -1.810023 0.623644 -1.256002
O 4.595080 -1.394895 -0.228206
O 5.299379 0.363531 1.131213
N -0.375598 -0.418891 -1.237733
N -0.959752 1.685806 -0.105406
C 0.729606 0.115798 -0.537537
C 0.382542 1.340037 0.124503
C -3.150908 -0.262690 -0.312764
C 2.027400 -0.404079 -0.448267
C 1.343235 2.041502 0.881891
C 2.993390 0.301275 0.326319
C -2.829610 -0.909381 0.905173
C -4.468152 -0.279743 -0.821561
C 2.646535 1.511025 0.981905
C -3.846268 -1.579217 1.619846
C -5.479604 -0.952955 -0.099883
C -5.170207 -1.601076 1.118592
C 4.384181 -0.193360 0.471621
C 5.965896 -1.942316 -0.136189
H -0.280405 -1.204323 -1.879538
H -1.348457 2.583657 0.179299
H 2.313156 -1.330715 -0.952733
H 1.082410 2.978971 1.383608
H -1.802496 -0.893232 1.285789
H -4.681261 0.227357 -1.770220
H 3.417076 2.024850 1.564718
H -3.607367 -2.083044 2.562499
H -6.503612 -0.971495 -0.487815
H -5.956043 -2.122882 1.675957
H 5.943039 -2.863021 -0.736572
H 6.224056 -2.159107 0.914337
H 6.695590 -1.221251 -0.542128


