%chk=000108595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108595

0 1
S 3.394719 -1.078190 0.046950
O -1.977206 -1.509223 0.853250
O 2.530700 -1.287672 1.473262
O 2.871628 -2.106806 -0.822919
O 4.781958 -1.020288 0.391662
N -0.754207 -0.664644 -0.948640
C 0.570883 -0.197943 -1.414165
C 1.327324 0.634822 -0.359544
C -1.787471 0.273440 -0.620811
C -0.830428 -1.721075 0.032274
C 2.843597 0.505366 -0.468657
C -2.548267 -0.295170 0.446133
C -2.171436 1.481360 -1.180168
C -0.073952 -2.799343 0.215892
C -3.676132 0.299139 0.972826
C -3.321921 2.099244 -0.650133
C -4.052181 1.527785 0.393296
H 0.415997 0.393837 -2.344023
H 1.152889 -1.108392 -1.722522
H 0.996852 0.355594 0.668338
H 1.040672 1.702956 -0.460033
H 3.325312 1.308715 0.135324
H 3.175803 0.732284 -1.504808
H -1.622125 1.934043 -1.999796
H 0.781482 -3.040669 -0.405947
H 1.930644 -2.063663 1.495765
H -0.310328 -3.558271 0.944115
H -4.241894 -0.152944 1.782664
H -3.647075 3.049170 -1.074148
H -4.938038 2.036339 0.773860


%chk=000108595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108595

0 1
S 3.460497 -1.220040 0.062164
O -2.013078 -1.546746 0.870858
O 2.358120 -1.405924 1.506275
O 3.036445 -2.294545 -1.090850
O 4.972444 -1.160022 0.608298
N -0.687220 -0.540454 -0.696095
C 0.559793 -0.149966 -1.368942
C 1.440281 0.759970 -0.451725
C -1.803742 0.304868 -0.497021
C -0.795593 -1.664577 0.146348
C 2.946531 0.551531 -0.584018
C -2.624874 -0.326367 0.467803
C -2.177949 1.537830 -1.057392
C 0.073767 -2.711269 0.343739
C -3.830624 0.208403 0.916540
C -3.404965 2.100655 -0.616777
C -4.216148 1.452982 0.346635
H 0.302163 0.368046 -2.309372
H 1.106919 -1.068337 -1.645459
H 1.156835 0.594434 0.603605
H 1.236502 1.827511 -0.664179
H 3.533727 1.223012 0.061742
H 3.335817 0.544580 -1.615621
H -1.561081 2.048137 -1.803208
H 0.848062 -2.936748 -0.397241
H 1.498812 -1.927710 1.202326
H -0.236665 -3.512622 1.017521
H -4.441529 -0.302490 1.664742
H -3.729372 3.059675 -1.033720
H -5.156075 1.915986 0.662323


