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	hartrees
Energy at 0K	-2850.697419
Energy at 298.15K	-2850.701821
HF Energy	-2850.697419
Nuclear repulsion energy	310.206714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3138	18.15
2	A'	1810	1728	273.82
3	A'	1363	1302	139.82
4	A'	1202	1148	141.43
5	A'	989	945	120.50
6	A'	790	755	9.31
7	A'	584	558	3.34
8	A'	380	363	1.08
9	A'	173	165	1.43
10	A"	773	738	49.96
11	A"	621	593	0.53
12	A"	214	204	0.10

Atom	x (Å)	y (Å)
C1	0.000	0.830
C2	1.301	0.613
Br3	-1.259	-0.563
F4	1.885	-0.555
F5	2.188	1.581
H6	-0.389	1.835

	C1	C2	Br3	F4	F5	H6
C1		1.3193	1.8779	2.3393	2.3130	1.0776
C2	1.3193		2.8176	1.3057	1.3127	2.0858
Br3	1.8779	2.8176		3.1444	4.0593	2.5510
F4	2.3393	1.3057	3.1444		2.1574	3.2991
F5	2.3130	1.3127	4.0593	2.1574		2.5891
H6	1.0776	2.0858	2.5510	3.2991	2.5891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.040	C1	C2	F5	122.994
C2	C1	Br3	122.635	C2	C1	H6	120.641
Br3	C1	H6	116.724	F4	C2	F5	110.966

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

using model chemistry: wB97X-D/TZVP

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	-0.275
2	C	0.389
3	Br	-0.033
4	F	-0.139
5	F	-0.149
6	H	0.207

	x	y	z	Total
	-0.378	0.905	0.000	0.981
CHELPG
AIM
ESP

	x	y	z
x	7.964	1.312	0.000
y	1.312	5.825	0.000
z	0.000	0.000	3.685

<r²>	211.784
(<r²>)^1/2	14.553

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

using model chemistry: wB97X-D/TZVP

States and conformations

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