%chk=000217458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217458

0 1
Cl 9.820590 -0.466309 -0.916332
S 6.083202 1.093315 1.144818
F -5.448863 2.615947 0.425351
F -6.093667 1.096182 -1.131682
F -6.222717 0.582544 1.066278
N 1.073624 -0.243466 0.221452
N -2.395367 -2.528184 -0.754519
C 2.433911 -0.792699 0.171231
C 3.458624 0.278428 0.599466
C -0.044421 -0.967115 -0.090726
C -1.368020 -0.365363 -0.026071
C 4.896870 -0.263103 0.545943
C -2.501109 -1.198571 -0.370301
C -1.605238 0.992454 0.354409
C 0.039241 -2.310664 -0.483383
C -4.007252 0.691285 0.056704
C -3.813565 -0.641488 -0.319492
C -2.896244 1.519489 0.398219
C -1.145850 -3.030723 -0.797081
C -5.405749 1.238831 0.103615
C 7.739118 0.220920 0.832491
C 8.184294 0.455818 -0.605909
H 2.664516 -1.144024 -0.857292
H 2.512318 -1.674681 0.841819
H 3.229541 0.615001 1.630047
H 3.373851 1.160707 -0.065154
H 0.972245 0.729851 0.501566
H 5.173420 -0.545540 -0.484985
H 5.019424 -1.137702 1.208887
H -0.776478 1.658021 0.622211
H 1.003461 -2.821617 -0.554042
H -4.646317 -1.298452 -0.587858
H -3.063259 2.559771 0.689470
H -1.064899 -4.081291 -1.101275
H 7.616176 -0.851373 1.056364
H 8.452296 0.652413 1.552329
H 8.398166 1.513688 -0.813143
H 7.478430 0.051099 -1.346124


%chk=000217458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217458

0 1
Cl 9.838726 -0.436847 -0.856399
S 6.074598 1.082597 1.186517
F -5.504010 2.497282 -0.513813
F -6.404585 0.418617 -0.354066
F -5.771924 1.536517 1.515830
N 1.074395 -0.257662 0.210956
N -2.402165 -2.512489 -0.886868
C 2.439198 -0.794821 0.146343
C 3.455682 0.268300 0.612750
C -0.050803 -0.979099 -0.141301
C -1.377441 -0.383121 -0.053949
C 4.897008 -0.264137 0.550144
C -2.508828 -1.199318 -0.440445
C -1.616139 0.956766 0.389489
C 0.032252 -2.314772 -0.598042
C -4.019297 0.665637 0.071377
C -3.825139 -0.644527 -0.366035
C -2.907216 1.479798 0.454959
C -1.152328 -3.017991 -0.948843
C -5.396700 1.252425 0.169706
C 7.735251 0.217915 0.878285
C 8.196566 0.476525 -0.550963
H 2.674472 -1.108845 -0.892952
H 2.522728 -1.698686 0.786550
H 3.220194 0.572128 1.652029
H 3.369106 1.169754 -0.025228
H 0.967195 0.701232 0.537213
H 5.177781 -0.519166 -0.486733
H 5.022044 -1.154568 1.191246
H -0.787542 1.609202 0.689654
H 0.994462 -2.824320 -0.688151
H -4.658810 -1.285108 -0.665354
H -3.073777 2.507060 0.792906
H -1.073072 -4.053760 -1.301184
H 7.611893 -0.858042 1.083628
H 8.439532 0.639054 1.612889
H 8.410293 1.538022 -0.738900
H 7.500705 0.081844 -1.305943


