%chk=000189318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189318

0 1
Cl 3.618903 -2.279469 -2.757094
S -2.275493 0.228769 1.620936
O -2.078211 -0.715907 2.685382
O -3.073283 1.408983 1.863894
O -2.655977 2.191055 -0.443167
O 0.227546 -1.112887 0.656878
O -4.822960 2.034767 -1.107246
O 4.105311 1.911693 1.130428
N -0.709976 0.899973 1.205389
N 1.610112 0.784932 0.688805
N 5.139552 0.512572 -0.371099
N 2.614505 -0.644755 -0.946832
C -2.767641 -0.600904 0.185352
C -3.451683 0.035248 -0.859777
C -2.460225 -1.959976 0.075704
C -3.855115 -0.681718 -1.987941
C -2.853885 -2.684433 -1.059194
C -3.552955 -2.048826 -2.084077
C 0.368462 0.077587 0.822178
C 2.719912 0.298697 -0.027292
C -3.784367 1.497243 -0.817159
C 4.015530 0.996304 0.328782
C 5.027786 -0.517063 -1.318569
C 6.477820 1.077090 -0.080324
C 3.787714 -1.045088 -1.582574
C -2.831246 3.606216 -0.139962
H -1.893125 -2.464478 0.873302
H -0.625091 1.924221 1.143149
H -4.405710 -0.182750 -2.788852
H -2.602428 -3.743483 -1.136174
H -3.865054 -2.609335 -2.967539
H 1.777228 1.640409 1.239924
H 5.938077 -0.859821 -1.818112
H 6.391914 1.881058 0.682666
H 6.923435 1.519241 -0.987481
H 7.155465 0.303626 0.319553
H -3.620468 4.044907 -0.760854
H -1.852273 4.036842 -0.361275
H -3.091604 3.661362 0.927372


%chk=000189318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189318

0 1
Cl 4.105051 -2.424754 -2.729021
S -2.187113 0.051677 1.736308
O -1.990064 -1.162919 2.779548
O -2.995336 1.379545 2.192429
O -2.461246 2.185271 -0.476652
O 0.296135 -1.373493 0.533843
O -4.621012 2.189934 -1.362037
O 3.942141 1.991007 1.173784
N -0.515719 0.695912 1.289979
N 1.722942 0.523808 0.724524
N 5.194417 0.691666 -0.363200
N 2.886708 -0.831331 -0.885454
C -2.883000 -0.701340 0.114104
C -3.525240 0.073491 -0.877176
C -2.795600 -2.100003 0.071308
C -4.140799 -0.635133 -1.943719
C -3.387444 -2.774474 -1.020282
C -4.067946 -2.041087 -2.018280
C 0.484620 -0.166744 0.809482
C 2.856562 0.156694 0.008238
C -3.630905 1.568411 -0.917090
C 4.019122 1.028857 0.336493
C 5.230845 -0.357070 -1.287338
C 6.421400 1.479303 -0.100877
C 4.069071 -1.072932 -1.514838
C -2.532177 3.658878 -0.297594
H -2.283933 -2.637470 0.874701
H -0.518810 1.709154 1.134904
H -4.670564 -0.054564 -2.705548
H -3.320172 -3.865037 -1.080058
H -4.541402 -2.563848 -2.855472
H 1.889357 1.342223 1.329256
H 6.178684 -0.559508 -1.786347
H 6.177459 2.239300 0.656026
H 6.759086 1.974686 -1.026863
H 7.219551 0.820128 0.280011
H -3.174773 4.106870 -1.071777
H -1.496223 4.017729 -0.384086
H -2.943172 3.859067 0.705872


