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	hartrees
Energy at 0K	-3626.897309
Energy at 298.15K	-3626.900866
HF Energy	-3626.897309
Nuclear repulsion energy	528.822115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1088	1080	165.28	1.86	0.53	0.69
2	A'	760	754	252.94	5.31	0.59	0.74
3	A'	504	500	2.04	14.11	0.01	0.02
4	A'	331	329	0.22	1.83	0.73	0.84
5	A'	300	298	0.47	5.81	0.14	0.25
6	A'	210	208	0.15	2.17	0.54	0.70
7	A"	802	795	234.39	2.25	0.75	0.86
8	A"	387	384	0.10	2.03	0.75	0.86
9	A"	196	194	0.04	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	0.135	0.000
Br2	-1.393	0.318	0.000
F3	1.060	1.354	0.000
Cl4	1.060	-0.710	1.441
Cl5	1.060	-0.710	-1.441

	C1	Br2	F3	Cl4	Cl5
C1		1.9304	1.3295	1.7530	1.7530
Br2	1.9304		2.6627	3.0246	3.0246
F3	1.3295	2.6627		2.5173	2.5173
Cl4	1.7530	3.0246	2.5173		2.8825
Cl5	1.7530	3.0246	2.5173	2.8825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.110	Br2	C1	Cl4	110.308
Br2	C1	Cl5	110.308	F3	C1	Cl4	108.721
F3	C1	Cl5	108.721	Cl4	C1	Cl5	110.607

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.174
2	Br	0.177
3	F	-0.242
4	Cl	-0.054
5	Cl	-0.054

	x	y	z	Total
	-0.151	-0.323	0.000	0.356
CHELPG
AIM
ESP

	x	y	z
x	10.875	-1.062	0.000
y	-1.062	8.470	0.000
z	0.000	0.000	10.303

<r²>	258.943
(<r²>)^1/2	16.092

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)