%chk=000272971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272971

0 1
S 1.305964 1.528631 -0.608942
O 1.665941 1.754258 -2.005284
O 1.480908 2.600702 0.345538
O 1.270716 -0.102361 1.982887
O 4.906295 -1.968073 -1.325301
O -4.816729 -0.427565 1.652123
N -4.237097 -0.589490 -0.577805
C -0.284373 0.894176 -0.558978
C 2.366166 0.200075 -0.095221
C -1.010385 0.855996 0.639661
C -0.888569 0.456710 -1.747128
C -2.910404 -0.081103 -0.525889
C -2.314111 0.367554 0.666584
C -2.187832 -0.034907 -1.744735
C 2.239935 -0.315255 1.291478
C 3.284622 -0.274079 -0.935604
C 4.242594 -1.364748 -0.517262
C 3.384314 -1.152695 1.784698
C 4.304183 -1.641267 0.951733
C -5.130923 -0.731962 0.524172
C -6.469068 -1.289624 0.135370
H -0.548086 1.207734 1.574044
H -0.332458 0.510934 -2.692753
H -2.868057 0.337094 1.612814
H -2.639529 -0.370329 -2.674311
H 3.406101 0.089189 -1.970189
H 3.388541 -1.336482 2.863040
H 5.138788 -2.269310 1.274703
H -4.569944 -0.870168 -1.504560
H -7.008113 -0.644485 -0.572273
H -7.109948 -1.379356 1.031021
H -6.400542 -2.294293 -0.303731


%chk=000272971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272971

0 1
S 1.335881 1.570189 -0.633568
O 1.712014 1.720790 -2.223223
O 1.482839 2.822236 0.397295
O 1.571383 0.079933 2.197669
O 5.315715 -1.734307 -1.352725
O -5.041554 -0.349981 1.697370
N -4.348235 -0.590747 -0.534682
C -0.403570 0.855562 -0.548042
C 2.531190 0.168245 -0.029218
C -1.105919 0.903979 0.666652
C -0.959504 0.373172 -1.745197
C -3.022189 -0.090782 -0.490314
C -2.429838 0.421637 0.699768
C -2.280095 -0.106970 -1.706642
C 2.467811 -0.296761 1.383273
C 3.444426 -0.274437 -0.931263
C 4.469546 -1.284504 -0.520877
C 3.522862 -1.272613 1.784846
C 4.453973 -1.736198 0.898784
C -5.283287 -0.700498 0.509058
C -6.622986 -1.287163 0.068729
H -0.631153 1.305425 1.566528
H -0.379812 0.396923 -2.673437
H -3.009330 0.435670 1.623790
H -2.740891 -0.488423 -2.626222
H 3.452205 0.100896 -1.963498
H 3.488413 -1.600303 2.829738
H 5.224304 -2.461249 1.183236
H -4.665355 -0.913766 -1.452419
H -7.112824 -0.644092 -0.685834
H -7.278835 -1.360617 0.947516
H -6.498288 -2.295747 -0.367191


