%chk=000183587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183587

0 1
Cl 3.199586 2.999923 -1.406304
F -1.821683 3.000701 -0.956355
O -2.822729 -0.220214 -1.603042
O -4.213213 -1.148277 -3.129209
O 2.978512 0.521201 -0.133372
N -1.882488 0.553413 0.447923
C -6.051578 -0.904494 1.826640
C -6.455264 -2.039788 0.870925
C -4.549600 -0.570948 1.738498
C -6.155129 -1.699254 -0.602565
C -4.112991 -0.564200 0.323262
C -4.817073 -1.069107 -0.714372
C -2.827308 -0.005381 -0.197632
C -4.050044 -0.884393 -1.980996
C -0.689579 1.105202 -0.094400
C 0.527970 0.436138 0.130656
C -0.672341 2.361597 -0.735125
C 1.721487 1.037622 -0.281737
C 0.517258 2.971243 -1.147668
C 1.715290 2.303470 -0.919231
C 3.112249 -0.799044 0.485894
C 4.590058 -1.082848 0.486375
C 5.500855 -0.204335 -0.114027
C 5.045438 -2.259157 1.101930
C 6.866482 -0.502738 -0.098146
C 6.411518 -2.550447 1.112152
C 7.323355 -1.674055 0.513156
H -6.309383 -1.179961 2.866696
H -6.643283 0.003226 1.593757
H -7.532993 -2.261469 0.987359
H -5.918777 -2.967902 1.150539
H -3.947284 -1.312921 2.309065
H -4.336471 0.407713 2.222281
H -6.926197 -1.005657 -1.005821
H -6.217993 -2.612488 -1.231239
H 0.519224 -0.530824 0.627336
H 0.508271 3.946349 -1.642178
H 2.553593 -1.529634 -0.128708
H 2.699742 -0.744728 1.510451
H 5.137974 0.711705 -0.590378
H 4.342830 -2.944709 1.570187
H 7.574303 0.181197 -0.564630
H 6.767171 -3.462716 1.588369
H 8.386935 -1.904609 0.523584


%chk=000183587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183587

0 1
Cl 3.127173 3.059432 -1.822293
F -2.009346 2.727077 -1.221430
O -3.165337 0.211715 -1.740125
O -5.024638 -0.181955 -3.142304
O 3.066452 0.552770 -0.256273
N -1.806131 0.237707 0.267470
C -5.823231 -1.240870 1.983373
C -6.516384 -2.050485 0.855824
C -4.315634 -1.012359 1.690277
C -6.458909 -1.309367 -0.507269
C -4.126200 -0.616511 0.254083
C -5.085379 -0.739497 -0.720288
C -2.919090 -0.016546 -0.345980
C -4.538332 -0.240883 -2.006391
C -0.691871 0.902164 -0.284731
C 0.600999 0.383632 -0.000493
C -0.762872 2.120284 -1.009577
C 1.772256 1.015631 -0.472538
C 0.383657 2.784073 -1.471674
C 1.643955 2.222721 -1.215237
C 3.234521 -0.693697 0.502566
C 4.717753 -1.007873 0.599958
C 5.694041 -0.218113 -0.051259
C 5.124404 -2.131963 1.362325
C 7.063558 -0.553448 0.059830
C 6.491765 -2.465370 1.470450
C 7.467507 -1.675423 0.817916
H -5.937318 -1.764853 2.949830
H -6.326619 -0.259228 2.086217
H -7.569651 -2.248323 1.126047
H -6.017167 -3.034875 0.757409
H -3.735883 -1.936452 1.891147
H -3.886191 -0.241386 2.356349
H -7.205469 -0.489326 -0.532982
H -6.727260 -1.984558 -1.341697
H 0.649601 -0.533493 0.590535
H 0.283574 3.722126 -2.023002
H 2.693086 -1.512511 -0.017620
H 2.793458 -0.571792 1.514405
H 5.375097 0.650302 -0.633725
H 4.374234 -2.749401 1.873836
H 7.813947 0.063898 -0.446662
H 6.795206 -3.336278 2.062126
H 8.529368 -1.932294 0.901477


