%chk=000179311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179311

0 1
Cl -5.708431 0.230260 2.329734
S -2.781410 0.180448 1.680737
F 5.025355 -2.773336 0.141068
F 4.693755 -2.001106 -1.804963
F 3.298155 -3.332973 -0.940248
F 5.064379 2.834395 0.361775
F 5.199530 1.999833 2.305526
F 3.650145 3.362109 1.841115
F -6.985572 0.157261 -0.198699
F -6.016217 1.106432 -1.820159
F -6.050612 -1.009427 -1.693728
O -0.689818 0.158451 1.885554
N -0.991910 0.097845 -0.353909
N -3.394689 0.078146 -0.891702
C 1.325746 0.069552 0.586652
C -0.150159 0.098225 0.767331
C 3.348727 -1.080448 -0.065809
C 3.469033 1.143567 0.899680
C 2.075159 1.170110 1.027550
C 1.953305 -1.061806 0.049235
C -0.536180 0.006832 -1.770795
C 4.109627 0.020278 0.355153
C -2.371391 0.105721 -0.058780
C 4.063980 -2.270978 -0.649230
C 4.314677 2.308580 1.344666
C -4.601283 0.118867 -0.161469
C -0.465058 -1.424079 -2.229187
C -4.471759 0.174815 1.203734
C -5.874184 0.094207 -0.951690
C 0.535674 -1.898790 -2.965418
H 1.558397 2.030947 1.469153
H 1.344285 -1.915022 -0.275907
H -1.273807 0.558220 -2.416554
H 0.434974 0.541127 -1.874626
H 5.203120 0.002880 0.259898
H -1.324552 -2.039036 -1.943363
H 0.565460 -2.920019 -3.327754
H 1.391846 -1.320088 -3.284070


%chk=000179311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179311

0 1
Cl -6.093167 0.507455 2.138195
S -3.020511 0.551840 1.832489
F 5.362950 -2.250079 -0.785160
F 3.769879 -1.972022 -2.377264
F 3.370722 -3.328740 -0.609326
F 5.386690 2.801270 0.618981
F 5.493812 1.619671 2.546024
F 3.891741 3.206434 2.278806
F -6.966719 -0.221925 -0.655416
F -5.689358 0.697111 -2.288991
F -5.547667 -1.521660 -1.856684
O -0.424430 0.739856 2.030380
N -0.990858 0.141777 -0.144280
N -3.283928 -0.071580 -0.761877
C 1.426477 0.266353 0.581927
C -0.044374 0.393174 0.866346
C 3.400245 -0.934715 -0.213873
C 3.668391 1.138093 1.022303
C 2.273056 1.245837 1.161275
C 1.994144 -0.836354 -0.092591
C -0.662373 -0.032870 -1.608137
C 4.246834 0.048661 0.329917
C -2.364968 0.169375 0.160883
C 3.975566 -2.102265 -0.971220
C 4.584686 2.178745 1.612127
C -4.584883 0.006253 -0.253283
C -0.805518 -1.460813 -2.098892
C -4.670798 0.315328 1.093808
C -5.686446 -0.254312 -1.236991
C 0.138266 -2.106021 -2.827348
H 1.830946 2.071057 1.726621
H 1.358007 -1.628025 -0.500572
H -1.378593 0.606932 -2.155220
H 0.352606 0.357753 -1.779806
H 5.332854 -0.038399 0.230815
H -1.771267 -1.936088 -1.889730
H -0.037531 -3.115862 -3.212838
H 1.103815 -1.649245 -3.080899


