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	hartrees
Energy at 0K	-2851.863998
Energy at 298.15K	-2851.868259
HF Energy	-2851.863998
Nuclear repulsion energy	308.027995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3155	15.16
2	A'	1710	1688	214.34
3	A'	1278	1262	89.64
4	A'	1146	1131	160.38
5	A'	938	925	108.17
6	A'	748	738	12.39
7	A'	557	550	3.05
8	A'	361	356	0.67
9	A'	167	165	1.17
10	A"	724	715	36.04
11	A"	580	573	0.78
12	A"	204	202	0.09

Atom	x (Å)	y (Å)
C1	0.000	0.831
C2	1.310	0.610
Br3	-1.270	-0.561
F4	1.900	-0.570
F5	2.209	1.587
H6	-0.389	1.839

	C1	C2	Br3	F4	F5	H6
C1		1.3291	1.8847	2.3610	2.3346	1.0801
C2	1.3291		2.8337	1.3187	1.3275	2.0978
Br3	1.8847	2.8337		3.1704	4.0887	2.5563
F4	2.3610	1.3187	3.1704		2.1786	3.3233
F5	2.3346	1.3275	4.0887	2.1786		2.6107
H6	1.0801	2.0978	2.5563	3.3233	2.6107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.040	C1	C2	F5	122.892
C2	C1	Br3	122.793	C2	C1	H6	120.767
Br3	C1	H6	116.440	F4	C2	F5	111.068

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.409
2	C	1.024
3	Br	-0.028
4	F	-0.361
5	F	-0.363
6	H	0.137

	x	y	z	Total
	-0.344	0.846	0.000	0.913
CHELPG
AIM
ESP

	x	y	z
x	9.531	1.251	0.000
y	1.251	7.203	0.000
z	0.000	0.000	5.340

<r²>	214.398
(<r²>)^1/2	14.642

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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