%chk=000186162.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186162

0 1
Br 2.618977 -1.547599 -3.169693
Cl 5.924919 2.733486 0.179449
Cl 3.332188 2.025830 1.175588
Cl 3.739503 2.370839 -1.620640
S -1.326406 -1.555819 -0.578994
S -4.739408 2.720422 -1.395618
O 0.875093 1.244426 2.137086
O -2.589992 -2.324231 -0.627185
O 3.573291 -0.389868 -0.414505
O 3.512619 -0.893921 1.798175
O -3.735654 0.336980 3.039693
N 0.577374 -0.960124 1.223153
N -2.241946 0.652167 1.345156
C -0.814085 -1.480423 1.187561
C -1.260085 -0.210841 1.968629
C 0.227083 0.294101 1.847398
C 1.598460 -1.381049 0.346952
C 0.015222 -2.704502 -1.079070
C 1.367569 -2.206174 -0.708662
C 2.477538 -2.695047 -1.577352
C 2.956052 -0.875527 0.735281
C -3.505862 0.823222 1.950839
C -4.494948 1.678504 1.180979
C -4.565657 1.392479 -0.264416
C 4.827142 0.307985 -0.253183
C -4.553337 0.207861 -0.936129
C 4.470487 1.791780 -0.130717
C -4.683326 0.362376 -2.369311
C -4.793663 1.654921 -2.773855
H -0.964636 -2.435221 1.726309
H -1.548742 -0.431534 3.033468
H -0.161309 -3.718399 -0.662411
H -0.073325 -2.835040 -2.181420
H -2.040920 1.034870 0.423021
H 3.470561 -2.668923 -1.087266
H 2.312078 -3.727010 -1.940457
H -4.267255 2.751525 1.389153
H -5.506865 1.517114 1.641116
H 5.380099 -0.061526 0.636364
H 5.373286 0.076560 -1.190257
H -4.446928 -0.778656 -0.487190
H -4.689540 -0.501011 -3.024027
H -4.904452 2.042399 -3.771513


%chk=000186162-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186162

0 1
Br 2.690143 -1.907892 -3.407498
Cl 6.876746 2.320282 0.023405
Cl 3.857133 2.703096 -0.011914
Cl 5.254126 1.395209 -2.362694
S -1.446971 -1.564803 -0.819552
S -5.219564 2.855212 -0.961459
O 0.626551 1.599322 1.659798
O -2.697522 -2.669247 -0.753161
O 3.867386 -0.433939 -0.211070
O 3.117590 -0.355970 2.008086
O -3.728234 0.162279 3.274453
N 0.510080 -0.771739 1.016385
N -2.525008 0.569703 1.326075
C -0.819997 -1.370938 1.048867
C -1.354378 -0.109335 1.811739
C 0.066292 0.506936 1.548997
C 1.633516 -1.207207 0.284708
C 0.133097 -2.690464 -1.141633
C 1.483998 -2.128582 -0.737679
C 2.630013 -2.705785 -1.506233
C 2.919149 -0.631702 0.808614
C -3.685931 0.616049 2.096075
C -4.909453 1.273647 1.431689
C -4.912304 1.301841 -0.077697
C 5.128128 0.225807 0.180824
C -4.763004 0.251743 -0.978926
C 5.240976 1.587551 -0.518361
C -4.881481 0.647817 -2.362571
C -5.125222 2.000567 -2.534570
H -0.945007 -2.373070 1.489201
H -1.527903 -0.326406 2.883387
H -0.143323 -3.612772 -0.598290
H 0.102588 -2.889050 -2.226154
H -2.566572 0.933487 0.369679
H 3.616255 -2.475353 -1.090524
H 2.506497 -3.781582 -1.701988
H -4.988565 2.295869 1.848462
H -5.786450 0.722541 1.818178
H 5.156113 0.365894 1.275939
H 5.952869 -0.421907 -0.157186
H -4.572665 -0.783280 -0.673966
H -4.789843 -0.053183 -3.195408
H -5.258649 2.566756 -3.454528


