%chk=000194511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194511

0 1
S -5.057318 -0.444000 0.243675
S 5.195983 0.440263 0.360327
O -0.608660 -1.637288 0.526082
O 0.742513 1.648772 0.381063
O -2.878275 0.559160 -0.243191
O 3.031696 -0.610326 -0.091045
N -3.508343 -0.613976 -0.064365
N 3.657644 0.575865 -0.011518
C -0.679363 -0.205671 0.609257
C 0.808316 0.232968 0.610446
C -1.454885 0.370819 -0.579441
C 1.619834 -0.459284 -0.489081
H -1.170728 0.078125 1.569608
H 1.268850 0.048259 1.609502
H -1.167345 1.425077 -0.792561
H -1.366145 -0.249609 -1.485011
H 1.337613 -1.530203 -0.603528
H 1.560468 0.066347 -1.455031
H -1.518361 -2.023374 0.513962
H 1.653007 2.033177 0.359350


%chk=000194511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194511

0 1
S -5.047282 -0.843526 0.040032
S 5.196544 0.810897 0.114266
O -0.876060 -1.562258 0.736903
O 1.001693 1.597428 0.608659
O -2.875528 0.547553 -0.371688
O 3.032526 -0.613169 -0.217684
N -3.393348 -0.793361 -0.164025
N 3.549808 0.741443 -0.137295
C -0.698743 -0.111743 0.670681
C 0.824306 0.147307 0.682552
C -1.385350 0.492891 -0.564429
C 1.549422 -0.577984 -0.462442
H -1.121774 0.384830 1.569410
H 1.216868 -0.255651 1.640053
H -1.106664 1.550007 -0.693962
H -1.182312 -0.091960 -1.479606
H 1.271674 -1.642772 -0.493548
H 1.377676 -0.088538 -1.438026
H -1.836045 -1.750281 0.520335
H 1.969090 1.763987 0.408314


