%chk=000207247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207247

0 1
S -0.474295 1.293161 -0.298300
O 3.698535 -1.800687 -0.638036
O -2.317963 -2.546473 0.775102
N 3.237108 1.620237 0.217925
C 1.723024 -0.250231 -0.481171
C 0.340514 -0.262072 -0.206100
C 2.411571 1.023794 -0.891218
C -0.365066 -1.418034 0.123587
C 2.395072 -1.488315 -0.390442
C -2.670899 -0.284696 0.259891
C -1.814443 -1.493640 0.416537
C -2.176316 0.977550 -0.059651
C 0.346144 -2.643955 0.191208
C 1.699145 -2.684734 -0.058960
C -4.060999 -0.435374 0.449972
C 2.478550 1.765857 1.493337
C 3.765601 2.949842 -0.218464
C -3.022414 2.087035 -0.195352
C -4.914535 0.656479 0.318288
C -4.393619 1.919053 -0.004758
C 4.746332 -0.802174 -0.685881
H 3.122402 0.798954 -1.727511
H 1.696851 1.754296 -1.335731
H -0.206803 -3.555254 0.452796
H 2.264424 -3.615799 -0.008920
H -4.450218 -1.427798 0.704549
H 2.142524 0.771310 1.831752
H 1.599247 2.424615 1.440278
H 3.156986 2.156918 2.268137
H 4.369712 2.823950 -1.129869
H 4.438177 3.337768 0.564003
H 2.996706 3.712087 -0.414018
H -2.622395 3.069203 -0.447592
H -5.986519 0.533158 0.466004
H -5.065060 2.772070 -0.107561
H 4.624793 -0.170318 -1.570705
H 5.640197 -1.433586 -0.757929
H 4.745730 -0.203297 0.235404


%chk=000207247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207247

0 1
S -0.527935 1.377728 -0.418724
O 3.762825 -1.788669 -0.524247
O -2.406393 -2.642464 0.628326
N 3.270516 1.643863 0.270103
C 1.736266 -0.240747 -0.463332
C 0.316654 -0.243716 -0.247305
C 2.448058 1.057501 -0.830788
C -0.416591 -1.418369 0.082781
C 2.412887 -1.495629 -0.346303
C -2.752302 -0.308807 0.218086
C -1.882023 -1.515188 0.326276
C -2.275611 0.987175 -0.101181
C 0.315876 -2.638215 0.192600
C 1.686746 -2.680538 -0.016117
C -4.148796 -0.474408 0.449262
C 2.542394 1.833005 1.545079
C 3.933850 2.886706 -0.182115
C -3.164241 2.089431 -0.190500
C -5.035699 0.609114 0.364185
C -4.538780 1.899565 0.041263
C 4.833761 -0.811457 -0.796315
H 3.126940 0.887699 -1.686224
H 1.697475 1.797416 -1.196451
H -0.254890 -3.536336 0.446952
H 2.253878 -3.611858 0.062144
H -4.490159 -1.485154 0.695006
H 2.105468 0.875044 1.871793
H 1.719534 2.583557 1.474313
H 3.255673 2.168946 2.318635
H 4.554589 2.679403 -1.073809
H 4.594624 3.265025 0.617291
H 3.211418 3.697815 -0.447339
H -2.778882 3.084270 -0.440306
H -6.105457 0.461910 0.544808
H -5.221860 2.753007 -0.029700
H 4.864780 -0.574329 -1.876047
H 5.757484 -1.341946 -0.517341
H 4.695721 0.100551 -0.184158


