%chk=000229036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229036

0 1
S 4.180207 -1.041232 -0.422667
S -4.179927 -1.038385 -0.422451
S 1.402946 -1.090941 0.807195
S -1.402914 -1.089181 0.807853
O 0.000916 0.810706 -0.500346
N 2.983317 1.085563 0.539173
N -2.981614 1.088312 0.537831
C 5.177081 0.493350 -0.487400
C -5.175690 0.496860 -0.488513
C 4.285726 1.611664 0.085492
C -4.283569 1.614996 0.083528
C 2.812005 -0.163919 0.337362
C -2.811168 -0.161447 0.337024
C 0.000453 -0.143620 0.188314
H 5.472244 0.690962 -1.532375
H 6.100069 0.353638 0.101250
H -6.098815 0.358295 0.100194
H -5.470646 0.693830 -1.533666
H 4.769402 2.117823 0.953187
H 4.088727 2.406061 -0.672488
H -4.085872 2.408590 -0.675114
H -4.766979 2.122272 0.950719


%chk=000229036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229036

0 1
S 4.053876 -0.986026 -0.774135
S -4.053149 -0.983389 -0.773933
S 1.505010 -1.317698 1.024082
S -1.505260 -1.315550 1.025643
O 0.000665 0.693656 -0.206889
N 2.988591 1.003252 0.763013
N -2.987254 1.006148 0.762447
C 5.088397 0.602474 -0.563985
C -5.086673 0.605976 -0.565415
C 4.107257 1.663287 0.035584
C -4.105175 1.666481 0.034145
C 2.841421 -0.230093 0.415442
C -2.840746 -0.227509 0.415703
C 0.000258 -0.344769 0.446312
H 5.473603 0.898423 -1.550759
H 5.921552 0.368641 0.116455
H -5.920438 0.373151 0.114622
H -5.471034 0.901597 -1.552616
H 4.636105 2.338788 0.729223
H 3.653685 2.281088 -0.763269
H -3.650834 2.283637 -0.764768
H -4.633957 2.342631 0.727202


