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	hartrees
Energy at 0K	-3628.768629
Energy at 298.15K	-3628.772488
HF Energy	-3628.768629
Nuclear repulsion energy	528.897270

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'	1245	1129	188.27	4.86	0.46	0.63
2	A'	891	808	252.96	15.07	0.66	0.79
3	A'	546	495	1.30	11.49	0.02	0.04
4	A'	367	333	0.10	2.40	0.75	0.86
5	A'	331	300	0.08	6.15	0.20	0.33
6	A'	236	214	0.02	2.74	0.57	0.73
7	A"	937	849	232.34	8.28	0.75	0.86
8	A"	430	389	0.15	2.63	0.75	0.86
9	A"	221	200	0.02	1.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.528	0.130	0.000
Br2	-1.395	0.330	0.000
F3	1.061	1.330	0.000
Cl4	1.061	-0.714	1.443
Cl5	1.061	-0.714	-1.443

	C1	Br2	F3	Cl4	Cl5
C1		1.9327	1.3134	1.7549	1.7549
Br2	1.9327		2.6521	3.0338	3.0338
F3	1.3134	2.6521		2.5025	2.5025
Cl4	1.7549	3.0338	2.5025		2.8854
Cl5	1.7549	3.0338	2.5025	2.8854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.052	Br2	C1	Cl4	110.619
Br2	C1	Cl5	110.619	F3	C1	Cl4	108.435
F3	C1	Cl5	108.435	Cl4	C1	Cl5	110.590

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: HF/Def2TZVPP

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	0.288
2	Br	-0.029
3	F	-0.182
4	Cl	-0.039
5	Cl	-0.039

	x	y	z	Total
	-0.228	-0.377	0.000	0.441
CHELPG
AIM
ESP

	x	y	z
x	8.859	-1.053	0.000
y	-1.053	6.510	0.000
z	0.000	0.000	8.258

<r²>	259.536
(<r²>)^1/2	16.110

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)