%chk=000212326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212326

0 1
Br 4.564413 1.165238 -1.557560
Cl 0.038823 1.641447 -2.501625
O -0.202486 2.052912 0.226531
O -1.303572 -2.768558 2.514524
N -0.981520 0.415036 1.738998
N 0.151858 -2.304257 0.852650
C -0.404274 0.620157 0.366829
C -1.155273 1.757547 2.373450
C -0.370966 2.747698 1.488623
C 0.924338 -0.074527 0.081578
C -0.277025 -0.566617 2.601251
C -1.433221 0.236396 -0.695202
C 1.112134 -1.466008 0.208458
C 0.997214 3.118009 2.036793
C -0.555345 -1.950185 2.021203
C 1.976035 0.701431 -0.431826
C -1.298606 0.662204 -2.024501
C -2.542533 -0.561030 -0.372428
C 2.290998 -2.077889 -0.270947
C 3.149490 0.089070 -0.867383
C 3.307039 -1.300565 -0.819297
C -2.224160 0.314906 -3.013048
C -3.474806 -0.919055 -1.350262
C -3.318268 -0.482475 -2.669265
H -0.843177 1.785922 3.432939
H -2.247025 1.979025 2.348983
H -0.962523 3.644504 1.204083
H -0.722228 -0.531440 3.626120
H 0.815348 -0.390737 2.718263
H 1.602404 2.232968 2.266622
H 1.564721 3.699566 1.295737
H 0.923226 3.725524 2.944760
H 1.853052 1.793591 -0.486937
H 0.011741 -3.247193 0.477695
H -2.689789 -0.903533 0.656864
H 2.414045 -3.158229 -0.203018
H 4.217321 -1.773426 -1.194150
H -2.092065 0.663950 -4.036870
H -4.327976 -1.539672 -1.079199
H -4.047260 -0.761004 -3.429338


%chk=000212326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212326

0 1
Br 4.712544 0.976642 -1.836249
Cl 0.018376 1.732610 -2.824269
O -0.025221 2.143682 0.233518
O -1.159903 -2.748506 2.717411
N -0.783452 0.428153 1.671011
N 0.207286 -2.283317 0.898036
C -0.276771 0.655887 0.311871
C -1.359480 1.699581 2.156388
C -0.436669 2.774776 1.522716
C 1.036519 -0.100453 0.007843
C -0.113860 -0.510673 2.583867
C -1.364358 0.322125 -0.756112
C 1.185711 -1.504468 0.206314
C 0.798471 3.129276 2.362744
C -0.404723 -1.940889 2.105120
C 2.104420 0.619349 -0.578541
C -1.329471 0.716978 -2.117875
C -2.477997 -0.462566 -0.353906
C 2.348725 -2.165563 -0.264041
C 3.257964 -0.053543 -1.014757
C 3.386802 -1.451805 -0.893252
C -2.343569 0.360606 -3.031205
C -3.504720 -0.827360 -1.248592
C -3.438918 -0.416867 -2.597439
H -1.368027 1.730492 3.257776
H -2.395830 1.822249 1.786113
H -0.995670 3.685117 1.241690
H -0.568479 -0.415076 3.581239
H 0.984438 -0.348925 2.676710
H 1.334205 2.217469 2.683384
H 1.496882 3.746965 1.772444
H 0.506890 3.702111 3.263438
H 1.987391 1.697097 -0.700950
H 0.050015 -3.248780 0.591722
H -2.520875 -0.768872 0.695901
H 2.454156 -3.244876 -0.105294
H 4.279804 -1.969954 -1.253161
H -2.271172 0.694269 -4.070605
H -4.346329 -1.430521 -0.892198
H -4.225002 -0.691718 -3.308711


