%chk=000188726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188726

0 1
Cl -0.025892 0.805813 -1.592860
Cl 4.727791 2.498336 0.175075
S -0.204942 -2.438179 -0.076236
O 0.173760 -2.102821 -1.423511
O -1.538709 -2.921235 0.219339
N 0.005771 -1.040616 0.932670
N -4.045143 0.284243 -0.788880
C -1.191068 -0.458176 1.599545
C 1.104318 -0.144025 0.694368
C -2.117439 0.303358 0.686862
C 0.970476 -3.546727 0.583071
C 1.209317 0.719962 -0.416859
C 2.140058 -0.149489 1.651438
C -1.996443 1.689356 0.522451
C -3.154275 -0.364795 0.000017
C 2.333529 1.536541 -0.587636
C 3.261010 0.664861 1.496173
C 3.342871 1.494798 0.373889
C -2.908552 2.367445 -0.290835
C -3.920973 1.630874 -0.926383
H -0.845376 0.196862 2.433510
H -1.745269 -1.306986 2.077493
H 1.231852 -3.349970 1.632600
H 0.617505 -4.590549 0.563643
H 1.920985 -3.544637 0.026771
H 2.056348 -0.798242 2.524955
H -1.195896 2.235929 1.020004
H -3.270929 -1.461625 0.072414
H 2.415224 2.191139 -1.459135
H 4.060734 0.656174 2.237471
H -2.834255 3.441997 -0.433638
H -4.662086 2.117383 -1.570588


%chk=000188726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188726

0 1
Cl -0.056444 0.330329 -2.025518
Cl 4.445791 2.964006 -0.250119
S 0.083601 -2.737027 -0.117115
O 1.132693 -2.636835 -1.351024
O -1.470748 -3.194135 -0.304857
N 0.082683 -1.112698 0.868885
N -3.822271 0.723011 -0.990629
C -1.246329 -0.741344 1.443853
C 1.075526 -0.146686 0.522513
C -2.084303 0.275339 0.684698
C 0.856034 -3.925783 1.160717
C 1.150621 0.577311 -0.705472
C 2.081555 0.114893 1.495463
C -1.975151 1.661187 0.952446
C -3.027088 -0.139145 -0.292969
C 2.175911 1.515259 -0.947415
C 3.102437 1.062336 1.288627
C 3.132197 1.747416 0.057642
C -2.780451 2.570320 0.231580
C -3.684963 2.057549 -0.726055
H -1.036695 -0.361605 2.463675
H -1.814685 -1.684214 1.546374
H 0.207067 -3.897412 2.045678
H 0.866702 -4.912216 0.675722
H 1.865995 -3.543879 1.359538
H 2.034097 -0.448625 2.432903
H -1.271295 2.022958 1.712402
H -3.135745 -1.203273 -0.534473
H 2.219891 2.050210 -1.899130
H 3.858687 1.253872 2.054191
H -2.718360 3.648711 0.408874
H -4.332656 2.727170 -1.303809


