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	hartrees
Energy at 0K	-2851.940631
Energy at 298.15K	-2851.944899
HF Energy	-2851.940631
Nuclear repulsion energy	307.879047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3159	14.60
2	A'	1716	1692	216.61
3	A'	1288	1270	90.98
4	A'	1151	1135	148.98
5	A'	939	926	107.01
6	A'	747	736	11.88
7	A'	558	551	2.88
8	A'	360	355	0.72
9	A'	167	165	1.13
10	A"	721	711	38.95
11	A"	585	577	1.00
12	A"	204	202	0.05

Atom	x (Å)	y (Å)
C1	0.000	0.832
C2	1.311	0.610
Br3	-1.270	-0.561
F4	1.900	-0.572
F5	2.210	1.588
H6	-0.388	1.839

	C1	C2	Br3	F4	F5	H6
C1		1.3293	1.8852	2.3625	2.3357	1.0798
C2	1.3293		2.8341	1.3208	1.3289	2.0971
Br3	1.8852	2.8341		3.1703	4.0904	2.5575
F4	2.3625	1.3208	3.1703		2.1826	3.3244
F5	2.3357	1.3289	4.0904	2.1826		2.6102
H6	1.0798	2.0971	2.5575	3.3244	2.6102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.967	C1	C2	F5	122.820
C2	C1	Br3	122.797	C2	C1	H6	120.720
Br3	C1	H6	116.483	F4	C2	F5	111.213

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

using model chemistry: B97D3/cc-pVTZ

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	-0.284
2	C	0.348
3	Br	0.003
4	F	-0.100
5	F	-0.116
6	H	0.149

	x	y	z	Total
	-0.179	0.856	0.000	0.874
CHELPG
AIM
ESP

	x	y	z
x	8.589	1.394	0.000
y	1.394	6.347	0.000
z	0.000	0.000	3.947

<r²>	214.257
(<r²>)^1/2	14.638

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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