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	hartrees
Energy at 0K	-3256.378289
Energy at 298.15K	-3256.382076
HF Energy	-3256.378289
Nuclear repulsion energy	429.741414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1133	1081	297.76
2	A'	785	750	436.32
3	A'	597	570	27.03
4	A'	382	365	3.63
5	A'	320	305	0.31
6	A'	202	193	0.24
7	A"	1267	1210	184.17
8	A"	366	350	3.83
9	A"	274	262	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	0.690	0.000
Br2	0.563	-1.218	0.000
Cl3	-1.785	0.891	0.000
F4	0.563	1.296	1.106
F5	0.563	1.296	-1.106

	C1	Br2	Cl3	F4	F5
C1		1.9677	1.8746	1.3513	1.3513
Br2	1.9677		3.1558	2.7464	2.7464
Cl3	1.8746	3.1558		2.6270	2.6270
F4	1.3513	2.7464	2.6270		2.2119
F5	1.3513	2.7464	2.6270	2.2119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.416	Br2	C1	F4	110.300
Br2	C1	F5	110.300	Cl3	C1	F4	107.950
Cl3	C1	F5	107.950	F4	C1	F5	109.862

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

using model chemistry: mPW1PW91/3-21G

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	0.186
2	Br	0.204
3	Cl	0.074
4	F	-0.232
5	F	-0.232

	x	y	z	Total
	0.624	-0.692	0.000	0.932
CHELPG
AIM
ESP

	x	y	z
x	5.412	-1.578	0.000
y	-1.578	5.567	0.000
z	0.000	0.000	2.492

<r²>	220.492
(<r²>)^1/2	14.849

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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