%chk=000256977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256977

0 1
S 0.309243 1.000834 0.935576
O 0.420022 -2.538670 -0.477906
O 3.969701 0.097511 0.346286
N 2.111798 -1.092452 -0.126723
C -0.255811 -0.228056 -0.269469
C -1.647684 -0.685760 0.167359
C -2.731001 0.347680 -0.161105
C 1.946945 1.401195 0.278175
C 0.724929 -1.380494 -0.288721
C -4.121379 -0.166018 0.240864
C 2.768820 0.131746 0.185769
C 1.883507 2.106917 -1.060255
C -5.210991 0.852703 -0.083404
H -0.301357 0.218824 -1.296325
H -1.662559 -0.929552 1.250799
H -1.879951 -1.652183 -0.339975
H -2.524178 1.304762 0.358124
H -2.719979 0.584544 -1.242662
H 2.426932 2.075421 1.043039
H -4.139102 -0.399430 1.323973
H -4.336829 -1.121359 -0.277597
H 2.734866 -1.922090 -0.169091
H 1.258764 3.011313 -1.008948
H 2.885776 2.431581 -1.384752
H 1.479573 1.476513 -1.862644
H -5.251048 1.076959 -1.155438
H -5.050301 1.799981 0.444281
H -6.199606 0.479983 0.209171


%chk=000256977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256977

0 1
S 0.268631 1.148020 0.972483
O 0.423994 -2.575247 -0.458917
O 4.054410 0.119637 0.352300
N 2.124894 -1.076352 -0.066668
C -0.260041 -0.230933 -0.229947
C -1.676715 -0.715667 0.138503
C -2.776672 0.333028 -0.135182
C 2.000447 1.429769 0.250801
C 0.754487 -1.377930 -0.249015
C -4.186225 -0.190116 0.223177
C 2.803730 0.132937 0.202348
C 1.981561 2.131054 -1.126576
C -5.296334 0.844809 -0.058143
H -0.279240 0.218091 -1.243257
H -1.691712 -1.018480 1.203790
H -1.874863 -1.633003 -0.447143
H -2.572766 1.259445 0.438067
H -2.754770 0.618374 -1.208156
H 2.503337 2.078215 0.987353
H -4.207203 -0.474659 1.294783
H -4.389502 -1.118226 -0.348903
H 2.739639 -1.900840 -0.109582
H 1.457277 3.097479 -1.045219
H 3.016354 2.316486 -1.467951
H 1.471397 1.524291 -1.895183
H -5.317536 1.123635 -1.128576
H -5.133950 1.769919 0.526304
H -6.293526 0.448665 0.206910


