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	hartrees
Energy at 0K	-3624.263790
Energy at 298.15K	-3624.267352
HF Energy	-3624.263790
Nuclear repulsion energy	527.179178

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'	1168	1149	184.65	0.49	0.50	0.67
2	A'	765	753	302.01	1.48	0.65	0.79
3	A'	503	494	3.95	8.87	0.02	0.03
4	A'	332	327	0.19	3.90	0.67	0.80
5	A'	300	295	0.41	6.22	0.25	0.40
6	A'	214	211	0.05	3.71	0.64	0.78
7	A"	812	798	289.32	0.94	0.75	0.86
8	A"	387	381	0.17	3.49	0.75	0.86
9	A"	201	198	0.00	3.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.533	0.137	0.000
Br2	-1.394	0.320	0.000
F3	1.060	1.353	0.000
Cl4	1.060	-0.712	1.453
Cl5	1.060	-0.712	-1.453

	C1	Br2	F3	Cl4	Cl5
C1		1.9357	1.3253	1.7635	1.7635
Br2	1.9357		2.6626	3.0329	3.0329
F3	1.3253	2.6626		2.5251	2.5251
Cl4	1.7635	3.0329	2.5251		2.9060
Cl5	1.7635	3.0329	2.5251	2.9060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.006	Br2	C1	Cl4	110.057
Br2	C1	Cl5	110.057	F3	C1	Cl4	108.844
F3	C1	Cl5	108.844	Cl4	C1	Cl5	110.963

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: SVWN/6-31G**

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	-0.032
2	Br	-0.005
3	F	-0.136
4	Cl	0.087
5	Cl	0.087

	x	y	z	Total
	-0.114	-0.069	0.000	0.133
CHELPG
AIM
ESP

	x	y	z
x	8.011	-1.142	0.000
y	-1.142	5.611	0.000
z	0.000	0.000	7.716

<r²>	259.977
(<r²>)^1/2	16.124

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: SVWN/6-31G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)