%chk=000189782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189782

0 1
S -3.183452 -0.175272 0.018825
O -3.271485 -0.433308 1.685681
O -4.217077 0.800144 -0.234866
O -3.269290 -1.480599 -0.577820
N 3.238086 0.448339 -0.128536
N 4.395002 -0.038698 -0.098889
N 5.507216 -0.258482 -0.086041
C -0.427035 -0.237095 -0.073462
C 0.821438 0.453987 -0.124585
C -1.628843 0.536968 -0.098302
C -0.424050 -1.666357 -0.004223
C 2.038071 -0.324929 -0.079715
C 0.840345 1.876454 -0.218476
C -1.574460 1.916577 -0.190641
C -0.335261 2.593405 -0.257397
C 0.753343 -2.368331 0.034778
C 2.008527 -1.703211 0.002356
H -1.375800 -2.216863 -0.002347
H 1.804922 2.395464 -0.260312
H -2.499345 2.512778 -0.216025
H -0.324564 3.680520 -0.334303
H 0.746046 -3.459716 0.088763
H 2.912454 -2.304553 0.039942
H -4.159589 -0.489621 2.063997


%chk=000189782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189782

0 1
S -3.315805 -0.127973 -0.005836
O -3.221375 -0.587472 1.794265
O -4.408243 1.047894 -0.203813
O -3.473945 -1.501244 -0.850280
N 3.275839 0.471577 -0.166123
N 4.405907 -0.096496 -0.131223
N 5.542204 -0.435794 -0.117385
C -0.420461 -0.215685 -0.044834
C 0.847991 0.488301 -0.130461
C -1.584575 0.616524 -0.095797
C -0.434988 -1.642906 0.080861
C 2.063692 -0.287187 -0.078740
C 0.874150 1.913451 -0.257189
C -1.568909 2.000558 -0.215832
C -0.305444 2.657730 -0.302227
C 0.768915 -2.348973 0.125860
C 2.024486 -1.683397 0.047904
H -1.387233 -2.175960 0.128058
H 1.847890 2.407580 -0.319871
H -2.508238 2.562148 -0.246076
H -0.272293 3.746660 -0.399805
H 0.752398 -3.439383 0.221346
H 2.952644 -2.264582 0.085990
H -4.079409 -1.047770 2.029609


