%chk=000185982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185982

0 1
S 3.470529 0.636462 -0.104652
O 1.916835 -0.279573 1.551120
O 0.761899 -2.705325 0.229352
O 5.179257 1.129870 0.535573
O -4.190414 1.727839 0.175371
O 3.767834 -0.555099 -1.185816
O 2.808990 2.015868 -0.686991
N -3.342674 -0.406877 -0.340821
C -2.020233 -0.335880 0.131907
C 0.120989 -1.512032 0.421469
C 0.698830 -0.306231 1.063846
C -1.221826 -1.494912 -0.007036
C -1.475223 0.865449 0.723758
C -0.161161 0.861972 1.156977
C -4.355627 0.582132 -0.321078
C 2.215666 -2.934364 0.461160
C -5.667845 0.148011 -0.961764
H -1.619771 -2.407956 -0.463828
H -2.109082 1.748323 0.811580
H 0.289897 1.755281 1.599743
H -3.609622 -1.300070 -0.763856
H 2.478732 -2.707798 1.505364
H 2.812225 -2.301469 -0.223162
H 2.342980 -4.001773 0.230101
H -5.851684 0.768752 -1.856331
H -6.491721 0.346128 -0.255964
H -5.697610 -0.914547 -1.257548
H 5.181828 2.132816 0.533728


%chk=000185982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185982

0 1
S 3.491878 0.497331 -0.142219
O 2.025114 -0.033124 2.037941
O 0.858697 -2.219314 0.164205
O 3.654068 1.143195 -1.841438
O -4.335545 0.959448 1.108400
O 4.436827 -0.792829 -0.040262
O 1.728604 -0.167054 -0.804343
N -2.916440 0.108262 -0.567503
C -1.674016 -0.043167 0.110380
C 0.746409 -0.755170 0.081571
C 0.867807 -0.156759 1.515557
C -0.591523 -0.534188 -0.577014
C -1.561095 0.296629 1.539830
C -0.361232 0.211835 2.206501
C -4.146712 0.576936 -0.082679
C 2.086080 -2.788620 0.768977
C -5.266830 0.591748 -1.118330
H -0.648127 -0.846850 -1.625016
H -2.468360 0.638369 2.046087
H -0.275166 0.497137 3.259676
H -2.903487 -0.169357 -1.551659
H 2.139583 -2.585013 1.854288
H 2.994135 -2.395851 0.276637
H 1.990444 -3.871018 0.592761
H -5.658250 1.619799 -1.204726
H -6.095109 -0.041431 -0.756548
H -4.962480 0.241408 -2.119570
H 3.076722 0.572646 -2.429301


