%chk=000179312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179312

0 1
Cl 5.423160 -0.789414 2.740528
S 2.572190 -0.503684 1.854188
F -3.740672 3.112173 1.928113
F -5.048981 2.799038 0.298160
F -5.350989 1.754605 2.117916
F -3.304036 -3.175116 -1.674574
F -5.036974 -2.821965 -0.515340
F -4.726459 -1.750664 -2.318038
F 6.936406 0.128437 0.525376
F 6.159222 -0.267758 -1.400352
F 6.112237 1.702133 -0.620727
O 0.499446 -0.564727 1.858678
N 0.975436 0.273730 -0.196327
N 3.428972 0.438250 -0.464439
C 0.595431 0.828799 -1.555472
C 0.057382 -0.147862 0.772249
C -1.402746 -0.088960 0.483350
C 1.132423 -0.088554 -2.649003
C 1.110399 2.258069 -1.688079
C 2.325901 0.149672 0.198465
C -2.009722 -1.132105 -0.228626
C -2.156762 0.979186 0.987146
C -3.391002 -1.091538 -0.453396
C -3.537166 1.009648 0.753672
C -4.158060 -0.023751 0.036484
C 4.559360 0.149188 0.329523
C -4.388852 2.142384 1.266407
C -4.087779 -2.186324 -1.219560
C 4.299496 -0.353235 1.578769
C 5.900507 0.421947 -0.278749
H -0.527755 0.836846 -1.594725
H 0.798962 0.244937 -3.639746
H 2.236250 -0.093262 -2.678233
H 0.815293 -1.129009 -2.522567
H 0.788374 2.901445 -0.862075
H 0.762264 2.715037 -2.622840
H 2.213397 2.300314 -1.713081
H -1.397434 -1.963887 -0.594594
H -1.657714 1.770101 1.558806
H -5.241309 0.001977 -0.139586


%chk=000179312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179312

0 1
Cl 5.800417 -0.180874 2.859445
S 2.793077 0.140956 2.236988
F -4.237829 2.576007 2.650697
F -5.478269 2.650306 0.751615
F -5.822399 0.997639 2.259394
F -2.742151 -2.565447 -2.291087
F -4.678765 -2.773356 -1.123680
F -4.509515 -1.218538 -2.758873
F 6.994537 -0.169313 0.089272
F 5.704395 -1.016239 -1.573412
F 5.946862 1.225089 -1.362039
O 0.215421 0.360191 2.214376
N 1.000442 0.385206 0.015147
N 3.360171 0.215567 -0.383524
C 0.748228 0.734019 -1.450684
C -0.036788 0.347268 0.967109
C -1.473464 0.256880 0.522738
C 1.151649 -0.407762 -2.406191
C 1.399439 2.085027 -1.819354
C 2.333670 0.259108 0.449578
C -1.920496 -0.688840 -0.429724
C -2.418628 1.044418 1.221905
C -3.299611 -0.821145 -0.693866
C -3.791769 0.916383 0.932499
C -4.246037 -0.015120 -0.026516
C 4.586956 0.075016 0.270955
C -4.807642 1.772398 1.644742
C -3.791144 -1.830508 -1.698745
C 4.512064 0.007329 1.651757
C 5.794104 0.025910 -0.616453
H -0.344197 0.873037 -1.504422
H 0.792007 -0.165497 -3.422299
H 2.244755 -0.526562 -2.438023
H 0.704822 -1.373856 -2.109742
H 1.096059 2.882229 -1.117394
H 1.059708 2.373696 -2.830130
H 2.497424 2.013608 -1.831777
H -1.209770 -1.338953 -0.947140
H -2.074926 1.737615 1.994869
H -5.314712 -0.116793 -0.240310


