%chk=000239489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239489

0 1
Cl 3.792897 -0.909289 2.636848
Cl 7.531311 1.460411 -0.372719
S 0.931671 0.411769 0.007837
N -4.018429 0.832022 -0.427755
N -1.977770 1.888934 -0.254680
N -3.226396 -1.538230 -0.344653
N -0.749861 -1.664801 -0.151553
N -2.086245 -3.609017 -0.382212
C -5.481621 0.658477 -0.479120
C -3.063274 -0.178708 -0.335316
C -6.106075 0.816921 0.917559
C -1.782775 0.498904 -0.235903
C -3.296387 2.072974 -0.358082
C -0.642695 -0.324546 -0.139415
C -7.622594 0.681735 0.850268
C 2.072025 -1.012718 0.069256
C -2.034228 -2.226725 -0.275000
C 3.427549 -0.405888 -0.012097
C 4.282788 -0.309129 1.098407
C 3.886701 0.096960 -1.245822
C 5.555494 0.263834 1.007641
C 5.150489 0.674833 -1.364541
C 5.968406 0.749749 -0.232694
H -5.906828 1.400709 -1.191438
H -5.705992 -0.356898 -0.889829
H -5.828269 1.796253 1.354976
H -5.685103 0.052452 1.603757
H -3.808080 3.024022 -0.401216
H -8.076545 1.447654 0.210786
H -8.069554 0.785979 1.847252
H -7.928203 -0.297821 0.462226
H 1.868817 -1.708057 -0.774181
H 1.887576 -1.613087 0.983530
H 3.238628 0.037940 -2.124046
H 6.204292 0.330174 1.883248
H 5.495026 1.064359 -2.323205
H -2.980610 -4.066805 -0.281273
H -1.268135 -4.143546 -0.129645


%chk=000239489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239489

0 1
Cl 4.954576 0.755660 2.567315
Cl 6.266590 0.089151 -2.770941
S 0.882286 0.922432 1.833011
N -3.778749 1.175422 -0.068700
N -2.084258 2.227636 1.083733
N -2.701044 -1.008914 -0.483712
N -0.417200 -1.089934 0.435635
N -1.351932 -2.919843 -0.691130
C -5.100896 0.929906 -0.671577
C -2.734319 0.255676 0.010189
C -6.075129 0.215645 0.293659
C -1.687586 0.925227 0.723418
C -3.330792 2.335005 0.597243
C -0.500689 0.174823 0.919169
C -7.446381 -0.030475 -0.369485
C 2.147834 -0.513657 1.776984
C -1.503969 -1.628993 -0.232798
C 3.171573 -0.349929 0.684132
C 4.462008 0.194182 0.898037
C 2.861994 -0.757652 -0.643015
C 5.416064 0.336343 -0.129692
C 3.785722 -0.631355 -1.699806
C 5.054110 -0.084747 -1.422284
H -5.517461 1.902970 -0.991894
H -4.947479 0.310974 -1.574111
H -6.197506 0.827339 1.208161
H -5.624480 -0.745382 0.603718
H -3.957829 3.220353 0.684323
H -7.926060 0.919849 -0.671159
H -8.132438 -0.546685 0.324936
H -7.345440 -0.660695 -1.272790
H 1.534525 -1.415214 1.619970
H 2.595826 -0.513945 2.780715
H 1.862783 -1.165424 -0.830569
H 6.402080 0.760447 0.073143
H 3.527145 -0.948214 -2.713682
H -2.122619 -3.363362 -1.182418
H -0.492857 -3.422816 -0.490535


