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	hartrees
Energy at 0K	-2845.038671
Energy at 298.15K	-2845.043256
HF Energy	-2845.038671
Nuclear repulsion energy	312.225786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3467	3115	18.10
2	A'	1966	1766	332.08
3	A'	1514	1360	133.53
4	A'	1315	1182	145.48
5	A'	1064	956	127.22
6	A'	831	746	11.26
7	A'	617	554	4.61
8	A'	400	360	1.59
9	A'	185	166	1.83
10	A"	896	805	63.76
11	A"	701	630	5.40
12	A"	238	214	0.40

Atom	x (Å)	y (Å)
C1	0.000	0.833
C2	1.289	0.618
Br3	-1.249	-0.567
F4	1.871	-0.538
F5	2.171	1.573
H6	-0.384	1.830

	C1	C2	Br3	F4	F5	H6
C1		1.3065	1.8766	2.3196	2.2938	1.0678
C2	1.3065		2.8008	1.2943	1.3007	2.0656
Br3	1.8766	2.8008		3.1200	4.0349	2.5480
F4	2.3196	1.2943	3.1200		2.1328	3.2697
F5	2.2938	1.3007	4.0349	2.1328		2.5681
H6	1.0678	2.0656	2.5480	3.2697	2.5681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.216	C1	C2	F5	123.230
C2	C1	Br3	122.241	C2	C1	H6	120.584
Br3	C1	H6	117.175	F4	C2	F5	110.553

All results from a given calculation for CHBrCF₂ (1-Bromo-2,2-difluoroethylene)

using model chemistry: HF/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	-0.374
2	C	0.810
3	Br	-0.071
4	F	-0.306
5	F	-0.320
6	H	0.260

	x	y	z	Total
	-0.118	1.074	0.000	1.080
CHELPG
AIM
ESP

	x	y	z
x	7.271	1.073	0.000
y	1.073	5.139	0.000
z	0.000	0.000	3.092

<r²>	209.146
(<r²>)^1/2	14.462

All results from a given calculation for CHBrCF2 (1-Bromo-2,2-difluoroethylene)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CHBrCF₂ (1-Bromo-2,2-difluoroethylene)