%chk=000065690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000065690

0 1
S -2.174940 -0.635807 1.025631
O 0.306030 0.694018 2.328708
O -0.598941 1.946003 0.701333
O 2.488421 -0.545687 -1.618924
O -2.767592 -0.375153 -1.527265
N 1.687853 -0.735010 0.505568
C 0.341098 -0.274146 0.133902
C -0.701540 -1.388334 0.281969
C -0.067455 0.913040 1.022335
C 2.712730 -0.821134 -0.456110
C 4.036500 -1.276323 0.082054
C -3.081705 -0.009513 -0.436845
C -4.142117 0.927058 -0.014205
H 0.361239 0.095281 -0.942100
H -0.364414 -2.209457 0.944700
H -0.937060 -1.847809 -0.702469
H 1.843809 -0.929173 1.492514
H 4.776433 -1.321211 -0.735992
H 4.440123 -0.590816 0.839720
H 3.988951 -2.280027 0.525143
H -3.706072 1.891954 0.313393
H -4.748905 0.555534 0.826912
H -4.832608 1.155950 -0.844110
H 0.038963 1.438460 2.931938


%chk=000065690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065690

0 1
S -2.404924 0.070672 0.985979
O 0.950718 0.236956 3.171807
O 0.254174 2.236884 2.203305
O 1.975166 0.035272 -1.587014
O -2.452640 -0.988825 -1.558023
N 1.717122 -0.564839 0.646611
C 0.459729 0.179761 0.813291
C -0.740296 -0.806281 0.849980
C 0.527284 1.030025 2.083400
C 2.401375 -0.583001 -0.568280
C 3.689938 -1.398245 -0.576614
C -3.059854 -0.272360 -0.737477
C -4.376779 0.429384 -0.997200
H 0.359308 0.854278 -0.053360
H -0.665089 -1.492677 1.707931
H -0.775331 -1.371505 -0.099304
H 2.088912 -1.053830 1.463231
H 3.609327 -2.188509 -1.342679
H 4.526710 -0.742336 -0.871940
H 3.925219 -1.864795 0.395364
H -4.180623 1.344934 -1.586312
H -4.884807 0.719893 -0.063850
H -5.031094 -0.223636 -1.598742
H 0.985255 0.790477 3.997696


