%chk=000245716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245716

0 1
Cl -4.006784 -2.139445 1.645468
Cl 3.193923 -2.699594 -1.887386
S 1.329882 2.344097 1.275312
N -1.390892 2.201118 0.972763
C -1.788229 0.955368 0.427611
C -0.226841 2.903920 0.452875
C 1.807683 0.924016 0.351674
C -2.567382 0.092427 1.233055
C -1.506443 0.601728 -0.911332
C 2.766371 1.069642 -0.654862
C 1.276076 -0.325555 0.681793
C -3.048380 -1.082431 0.663877
C -2.006400 -0.588229 -1.435861
C -2.785550 -1.450958 -0.655176
C 3.203448 -0.059418 -1.354635
C 1.705684 -1.459474 -0.015383
C 2.662120 -1.304663 -1.022381
H -0.309285 3.989301 0.698362
H -0.136937 2.808512 -0.650543
H -1.508892 2.293180 1.986547
H -2.798661 0.341060 2.266002
H -0.906165 1.258331 -1.537229
H 3.179171 2.051343 -0.895493
H 0.528102 -0.425949 1.472034
H -1.787383 -0.854414 -2.471448
H -3.175451 -2.378623 -1.066546
H 3.952011 0.028811 -2.141682
H 1.300904 -2.443704 0.222184


%chk=000245716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245716

0 1
Cl -5.351400 -1.303195 1.132265
Cl 3.700896 -2.481274 -2.344136
S 1.404873 2.127693 1.576681
N -1.446170 2.137876 0.996416
C -1.970758 0.944082 0.461443
C -0.214208 2.753676 0.630420
C 2.033450 0.824818 0.441833
C -3.204568 0.458629 0.985181
C -1.339028 0.229788 -0.594684
C 2.521632 1.158789 -0.846355
C 2.074383 -0.521569 0.880043
C -3.767841 -0.704889 0.441199
C -1.943843 -0.931598 -1.117495
C -3.169637 -1.423394 -0.611880
C 3.020691 0.153078 -1.706114
C 2.590176 -1.532527 0.038406
C 3.047126 -1.178623 -1.246710
H -0.224756 3.821707 0.895539
H 0.012061 2.635160 -0.439442
H -1.894702 2.481292 1.846825
H -3.713558 0.990779 1.796209
H -0.374747 0.553858 -0.994193
H 2.534854 2.204274 -1.173021
H 1.691173 -0.780245 1.871609
H -1.445721 -1.473834 -1.928391
H -3.634038 -2.327028 -1.013744
H 3.396896 0.406226 -2.701587
H 2.622463 -2.573152 0.373281


