%chk=000190313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190313

0 1
Br -4.056216 2.502424 -2.852598
Cl 7.068172 -0.657575 0.367608
O -1.131279 -0.798627 1.263370
O 0.860678 0.614394 -2.019362
O -5.201674 -0.368233 1.547699
O -3.371644 -1.203039 2.339931
N 1.183518 0.059676 0.191842
N -4.002774 -0.529225 1.508077
C -1.085562 0.526313 -0.684054
C -1.818606 -0.081272 0.367878
C -3.228701 0.086586 0.445103
C 0.393720 0.393516 -0.914511
C -1.775569 1.280901 -1.635513
C 2.607552 -0.107569 0.175526
C -3.899594 0.865710 -0.526749
C -3.171287 1.453933 -1.547191
C 3.385849 0.095967 -0.978153
C 3.217573 -0.485391 1.392720
C 4.768942 -0.075570 -0.915912
C 4.599596 -0.654950 1.449909
C 5.358661 -0.447510 0.294399
H -1.208451 1.736204 -2.467060
H 0.728416 -0.138083 1.093445
H -4.991000 0.986374 -0.449116
H 2.914899 0.386621 -1.925584
H 2.621319 -0.646976 2.288911
H 5.381320 0.079845 -1.805939
H 5.082308 -0.946121 2.383749
H -1.741766 -1.245125 2.003478


%chk=000190313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190313

0 1
Br -4.253383 2.073385 -3.123312
Cl 7.175710 -0.733209 0.506461
O -1.046172 -0.526166 1.455281
O 0.891470 1.066531 -2.014125
O -5.190688 -0.278697 1.701065
O -3.210122 -0.923444 2.620939
N 1.180518 -0.008674 0.057025
N -3.917269 -0.363994 1.643171
C -1.084926 0.577676 -0.713343
C -1.760780 0.056628 0.432054
C -3.192882 0.154836 0.489035
C 0.417315 0.564718 -0.945869
C -1.850816 1.166234 -1.743496
C 2.593156 -0.148983 0.100899
C -3.947529 0.748296 -0.552715
C -3.259100 1.248340 -1.662438
C 3.461540 0.298059 -0.932852
C 3.141286 -0.774397 1.255361
C 4.854784 0.117194 -0.803012
C 4.531644 -0.954499 1.384303
C 5.373959 -0.504021 0.348178
H -1.295521 1.553901 -2.604068
H 0.650433 -0.374167 0.863608
H -5.034980 0.797981 -0.459799
H 3.042118 0.777644 -1.818358
H 2.479367 -1.121944 2.057673
H 5.526136 0.459373 -1.595791
H 4.950312 -1.435055 2.272827
H -1.737181 -0.830348 2.173199


