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	hartrees
Energy at 0K	-2848.119226
Energy at 298.15K	-2848.123408
HF Energy	-2848.119226
Nuclear repulsion energy	305.608754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3171	12.21
2	A'	1714	1700	180.89
3	A'	1301	1290	84.52
4	A'	1153	1144	124.58
5	A'	930	922	91.04
6	A'	730	724	14.00
7	A'	540	536	2.97
8	A'	351	349	0.92
9	A'	165	163	1.11
10	A"	716	710	39.00
11	A"	564	560	2.99
12	A"	202	201	0.04

Atom	x (Å)	y (Å)
C1	0.000	0.847
C2	1.323	0.626
Br3	-1.277	-0.575
F4	1.907	-0.566
F5	2.221	1.612
H6	-0.395	1.860

	C1	C2	Br3	F4	F5	H6
C1		1.3417	1.9113	2.3730	2.3489	1.0871
C2	1.3417		2.8641	1.3265	1.3335	2.1157
Br3	1.9113	2.8641		3.1835	4.1252	2.5898
F4	2.3730	1.3265	3.1835		2.2003	3.3439
F5	2.3489	1.3335	4.1252	2.2003		2.6277
H6	1.0871	2.1157	2.5898	3.3439	2.6277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.584	C1	C2	F5	122.804
C2	C1	Br3	122.419	C2	C1	H6	120.809
Br3	C1	H6	116.772	F4	C2	F5	111.612

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

using model chemistry: BLYP/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	-0.245
2	C	0.534
3	Br	-0.061
4	F	-0.195
5	F	-0.210
6	H	0.177

	x	y	z	Total
	-0.074	0.860	0.000	0.863
CHELPG
AIM
ESP

	x	y	z
x	7.938	1.297	0.000
y	1.297	5.718	0.000
z	0.000	0.000	3.181

<r²>	216.100
(<r²>)^1/2	14.700

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

using model chemistry: BLYP/6-31G*

States and conformations

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