%chk=000256035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256035

0 1
S -5.645699 -1.699711 0.043191
O -5.472510 -3.118952 -0.213673
O -6.932997 -1.229653 0.529360
N -3.884549 0.776705 -0.187538
C -5.032829 0.648829 -1.145964
C -4.268808 0.321188 1.188658
C -5.270035 -0.830158 -1.444608
C -4.406607 -1.199756 1.192875
C -3.350883 2.179409 -0.179735
C -1.982552 2.249628 0.520228
C -0.895705 1.495515 -0.255854
C 0.460192 1.570238 0.457494
C 1.543449 0.812046 -0.321765
C 2.901335 0.884451 0.389606
C 3.983556 0.124845 -0.389576
C 5.341858 0.197620 0.321045
C 6.423938 -0.562405 -0.457929
C 7.782110 -0.489382 0.252444
C 8.865464 -1.249536 -0.525707
C 10.219580 -1.180336 0.176929
H -5.971037 1.124019 -0.775716
H -4.765376 1.171930 -2.092453
H -3.456289 0.616991 1.895190
H -5.204111 0.796825 1.564753
H -4.377885 -1.263287 -1.946406
H -6.079983 -0.941437 -2.193116
H -4.635626 -1.557663 2.216606
H -3.427035 -1.668921 0.956439
H -3.233978 2.506974 -1.237646
H -4.050729 2.898419 0.299716
H -1.697115 3.313359 0.637165
H -2.059701 1.840210 1.548344
H -1.204743 0.437703 -0.384551
H -0.809142 1.904825 -1.280207
H 0.761896 2.627307 0.587670
H 0.372891 1.153402 1.479289
H 1.242532 -0.245627 -0.451608
H 1.631927 1.226827 -1.344392
H 2.813447 0.469351 1.412140
H 3.203182 1.941695 0.518592
H 4.071657 0.538776 -1.412557
H 3.682554 -0.932848 -0.517932
H 5.643664 1.254983 0.449255
H 5.254296 -0.216673 1.343945
H 6.511705 -0.148703 -1.481017
H 6.122613 -1.620027 -0.585696
H 8.085147 0.567430 0.380929
H 7.696151 -0.902991 1.275581
H 8.954139 -0.835460 -1.549144
H 8.564506 -2.307851 -0.653080
H 10.985833 -1.725336 -0.385545
H 10.565667 -0.146222 0.285529
H 10.176235 -1.617965 1.180743


%chk=000256035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256035

0 1
S -5.876134 -1.771743 0.008092
O -5.786149 -3.388074 -0.223244
O -7.272166 -1.034663 0.459138
N -3.956417 0.802765 -0.152740
C -5.006199 0.629279 -1.191133
C -4.403658 0.324645 1.182155
C -5.227950 -0.842027 -1.556940
C -4.512550 -1.201161 1.254009
C -3.423984 2.197205 -0.107163
C -2.030743 2.303443 0.551689
C -0.931895 1.520672 -0.198751
C 0.452359 1.611238 0.481047
C 1.553117 0.837994 -0.279935
C 2.939534 0.913532 0.398342
C 4.036199 0.139079 -0.367090
C 5.423854 0.208493 0.309405
C 6.517882 -0.567331 -0.458676
C 7.906141 -0.503102 0.217203
C 8.998511 -1.279542 -0.553477
C 10.381493 -1.214678 0.130091
H -5.984995 1.078471 -0.891499
H -4.674217 1.148781 -2.109633
H -3.658134 0.636493 1.935185
H -5.383159 0.772644 1.481488
H -4.300464 -1.371642 -1.822938
H -6.020694 -0.991365 -2.306904
H -4.869079 -1.568906 2.229090
H -3.603115 -1.723942 0.921098
H -3.340082 2.549542 -1.153231
H -4.137061 2.886714 0.409640
H -1.761717 3.378914 0.594063
H -2.072994 1.964115 1.607163
H -1.241836 0.461021 -0.285912
H -0.855875 1.907787 -1.236918
H 0.751422 2.676702 0.573992
H 0.380162 1.218365 1.517280
H 1.251292 -0.225964 -0.377643
H 1.629789 1.234186 -1.314243
H 2.864415 0.515830 1.432239
H 3.242753 1.977132 0.496437
H 4.112444 0.537974 -1.400460
H 3.731126 -0.923817 -0.467213
H 5.730383 1.270948 0.409738
H 5.348547 -0.191268 1.342486
H 6.594494 -0.166271 -1.491242
H 6.209771 -1.629194 -0.561004
H 8.216516 0.558035 0.320290
H 7.831729 -0.905777 1.249278
H 9.073798 -0.875051 -1.583696
H 8.685775 -2.338694 -0.658462
H 11.143652 -1.777120 -0.440298
H 10.730488 -0.168409 0.220026
H 10.339215 -1.641654 1.150085


