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	hartrees
Energy at 0K	-3269.811514
Energy at 298.15K	-3269.815523
HF Energy	-3269.811514
Nuclear repulsion energy	442.176711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1115	1062	314.96
2	A'	877	835	417.53
3	A'	646	614	13.11
4	A'	444	423	0.15
5	A'	341	325	0.08
6	A'	220	209	0.13
7	A"	1180	1123	218.82
8	A"	411	391	0.11
9	A"	297	282

Atom	x (Å)	y (Å)	z (Å)
C1	0.032	0.666	0.000
Br2	0.547	-1.190	0.000
Cl3	-1.715	0.880	0.000
F4	0.547	1.260	1.079
F5	0.547	1.260	-1.079

	C1	Br2	Cl3	F4	F5
C1		1.9252	1.7601	1.3352	1.3352
Br2	1.9252		3.0657	2.6771	2.6771
Cl3	1.7601	3.0657		2.5346	2.5346
F4	1.3352	2.6771	2.5346		2.1579
F5	1.3352	2.6771	2.5346	2.1579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.500	Br2	C1	F4	109.041
Br2	C1	F5	109.041	Cl3	C1	F4	109.168
Cl3	C1	F5	109.168	F4	C1	F5	107.812

All results from a given calculation for CBrClF₂ (Methane, bromochlorodifluoro-)

using model chemistry: mPW1PW91/6-31+G**

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	0.133
2	Br	0.023
3	Cl	0.151
4	F	-0.154
5	F	-0.154

	x	y	z	Total
	-0.292	-0.535	0.000	0.610
CHELPG
AIM
ESP

	x	y	z
x	7.126	-1.162	0.000
y	-1.162	7.316	0.000
z	0.000	0.000	5.200

<r²>	209.485
(<r²>)^1/2	14.474

All results from a given calculation for CBrClF2 (Methane, bromochlorodifluoro-)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CBrClF₂ (Methane, bromochlorodifluoro-)