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	hartrees
Energy at 0K	-3626.779400
Energy at 298.15K	-3626.782985
HF Energy	-3626.779400
Nuclear repulsion energy	526.693979

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'	1115	1103	207.42	0.24	0.31	0.47
2	A'	760	752	321.02	2.42	0.65	0.79
3	A'	503	498	3.04	8.25	0.02	0.04
4	A'	336	333	0.45	4.85	0.69	0.82
5	A'	303	300	0.84	7.20	0.28	0.44
6	A'	216	214	0.35	4.83	0.63	0.77
7	A"	800	792	313.51	0.95	0.75	0.86
8	A"	394	390	0.52	4.19	0.75	0.86
9	A"	201	199	0.04	4.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	0.129	0.000
Br2	-1.399	0.328	0.000
F3	1.065	1.342	0.000
Cl4	1.065	-0.716	1.450
Cl5	1.065	-0.716	-1.450

	C1	Br2	F3	Cl4	Cl5
C1		1.9395	1.3260	1.7610	1.7610
Br2	1.9395		2.6641	3.0433	3.0433
F3	1.3260	2.6641		2.5177	2.5177
Cl4	1.7610	3.0433	2.5177		2.8995
Cl5	1.7610	3.0433	2.5177	2.8995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.855	Br2	C1	Cl4	110.561
Br2	C1	Cl5	110.561	F3	C1	Cl4	108.469
F3	C1	Cl5	108.469	Cl4	C1	Cl5	110.827

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: SVWN/6-311G**

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	-0.206
2	Br	0.113
3	F	-0.093
4	Cl	0.093
5	Cl	0.093

	x	y	z	Total
	-0.269	-0.311	0.000	0.411
CHELPG
AIM
ESP

	x	y	z
x	8.188	-1.335	0.000
y	-1.335	5.363	0.000
z	0.000	0.000	7.835

<r²>	261.410
(<r²>)^1/2	16.168

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)