%chk=000201064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201064

0 1
S -4.200621 0.111357 0.381073
S 1.529088 0.372769 -2.162207
S 4.746840 0.241292 -0.960648
P 2.880619 0.039624 -0.612801
O 2.236353 0.995043 0.564167
O 2.344687 -1.460813 -0.183956
O -5.040529 1.085445 -0.283033
O -4.609479 -1.271677 0.510344
N -3.996844 0.691041 1.987781
C -2.605206 0.176791 -0.285378
C -0.052244 0.278672 -1.348808
C -2.155791 1.351267 -0.897168
C -1.776633 -0.947192 -0.210609
C -0.864686 1.410710 -1.432920
C -0.485404 -0.902816 -0.747910
C 3.149601 1.698175 1.468607
C 3.197243 -2.275984 0.682882
C 2.197275 2.359181 2.446883
C 2.400811 -3.559033 0.827770
H -2.812983 2.225384 -0.967558
H -2.138230 -1.870489 0.256769
H -0.506968 2.329698 -1.900902
H 0.168783 -1.780657 -0.683725
H 3.822562 0.975392 1.964003
H 3.733182 2.438035 0.886902
H 4.172499 -2.446997 0.185579
H 3.333531 -1.758950 1.649929
H 2.737063 2.957851 3.189239
H 1.489418 3.019089 1.924759
H 1.589519 1.614664 2.979283
H 2.949833 -4.306929 1.411940
H 1.436280 -3.380624 1.321018
H 2.177234 -3.996913 -0.156110
H -4.425478 1.580225 2.235241
H -4.125824 0.035267 2.755067


%chk=000201064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201064

0 1
S -4.236586 0.312441 0.437308
S 1.637085 0.364867 -2.321343
S 5.049753 0.181821 -0.891267
P 3.040810 -0.148056 -0.555154
O 2.345906 0.619032 0.846651
O 2.491743 -1.759244 -0.233028
O -5.065604 1.570463 -0.180867
O -4.776058 -1.224175 0.413501
N -3.913235 0.752113 2.198232
C -2.514012 0.322751 -0.325784
C 0.004084 0.333247 -1.473497
C -2.027178 1.538291 -0.830007
C -1.809095 -0.890234 -0.383778
C -0.738060 1.538207 -1.407197
C -0.527924 -0.880943 -0.975983
C 2.751894 2.016514 1.178076
C 3.172563 -2.510970 0.873792
C 2.158595 2.312128 2.552462
C 2.547380 -3.901402 0.882943
H -2.637817 2.445568 -0.789031
H -2.258679 -1.814172 -0.006624
H -0.312767 2.464286 -1.805561
H 0.062313 -1.798284 -1.043978
H 3.856799 2.080495 1.173526
H 2.348039 2.697400 0.404207
H 4.257369 -2.545291 0.657951
H 3.000282 -1.969681 1.822211
H 2.408704 3.347173 2.850523
H 1.060615 2.208329 2.534837
H 2.564954 1.622231 3.311240
H 3.015630 -4.512927 1.676367
H 1.463942 -3.844154 1.083398
H 2.702668 -4.406757 -0.085035
H -4.493356 1.577947 2.423544
H -4.135256 -0.071117 2.782867


