%chk=000216468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216468

0 1
Cl 3.779679 4.364886 -0.190981
S 0.529232 -2.756942 -0.359779
S -4.576501 0.759472 0.542469
O 0.316353 -3.647003 -1.479605
O 0.994334 -3.266161 0.906494
O -5.675721 0.196968 -0.208523
O -4.697713 1.072884 1.947476
N 1.661598 -1.608805 -0.971512
N 2.221110 1.222301 -1.907895
N -4.162529 2.227298 -0.246765
C 2.491963 0.676409 -0.643249
C 2.277752 -0.631735 -0.120726
C 3.086232 1.701854 0.166200
C -0.887742 -1.782812 -0.098329
C 2.657118 -0.870895 1.191206
C 3.154180 2.870151 -0.663843
C 3.455352 1.424002 1.498435
C -3.158637 -0.224904 0.299944
C -0.980767 -0.975090 1.036230
C -1.929171 -1.827580 -1.028232
C 2.625434 2.567486 -1.911581
C 3.233016 0.153424 1.989950
C -2.124612 -0.190086 1.236278
C -3.072700 -1.044911 -0.826973
H 2.235893 -1.869493 -1.785059
H 1.767540 0.741626 -2.660579
H 2.527390 -1.865192 1.637860
H -0.172382 -0.952332 1.776061
H -1.859873 -2.478148 -1.908919
H 3.904369 2.209422 2.104204
H 2.518372 3.202048 -2.774910
H 3.509477 -0.094363 3.015249
H -2.204579 0.436270 2.132688
H -3.898277 -1.089633 -1.546867
H -4.691109 2.496501 -1.074253
H -3.994278 3.053683 0.323933


%chk=000216468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216468

0 1
Cl 1.786331 4.313906 0.775481
S 0.567038 -3.046431 0.222014
S -4.132810 1.412642 -0.208615
O 0.177266 -4.383743 -0.632819
O 1.008084 -3.116962 1.799908
O -5.146506 1.003726 -1.412370
O -4.618025 1.830273 1.285392
N 1.927318 -1.902088 -1.025633
N 0.762301 0.836653 -0.918494
N -3.095074 2.814612 -0.867661
C 1.938761 0.421148 -0.314811
C 2.562215 -0.866467 -0.323377
C 2.512448 1.551074 0.366142
C -0.896314 -1.849255 0.148672
C 3.797909 -0.978220 0.384901
C 1.593080 2.643925 0.145692
C 3.747182 1.401291 1.043948
C -2.845986 0.042673 -0.040656
C -1.137905 -1.039751 1.270513
C -1.643189 -1.792662 -1.041965
C 0.533270 2.191617 -0.634423
C 4.381226 0.135748 1.035187
C -2.152045 -0.059066 1.175219
C -2.652644 -0.807320 -1.143362
H 2.568448 -2.702976 -1.207522
H 0.158803 0.232507 -1.475604
H 4.294601 -1.955097 0.426029
H -0.542238 -1.169995 2.179793
H -1.445927 -2.496400 -1.856696
H 4.199640 2.250285 1.566531
H -0.365283 2.699853 -0.979805
H 5.334519 0.007647 1.557691
H -2.393433 0.599375 2.015494
H -3.277348 -0.710486 -2.037193
H -3.554928 3.134203 -1.739866
H -3.090983 3.554358 -0.141637


