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	hartrees
Energy at 0K	-2850.748429
Energy at 298.15K	-2850.752764
HF Energy	-2850.748429
Nuclear repulsion energy	308.379322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3145	16.82
2	A'	1771	1709	243.82
3	A'	1325	1279	107.65
4	A'	1183	1142	158.78
5	A'	965	931	122.06
6	A'	766	739	11.52
7	A'	570	550	3.36
8	A'	368	355	1.10
9	A'	168	162	1.47
10	A"	765	738	46.19
11	A"	598	577	1.03
12	A"	211	204	0.11

Atom	x (Å)	y (Å)
C1	0.000	0.832
C2	1.303	0.621
Br3	-1.265	-0.571
F4	1.901	-0.552
F5	2.194	1.601
H6	-0.395	1.834

	C1	C2	Br3	F4	F5	H6
C1		1.3199	1.8891	2.3515	2.3253	1.0770
C2	1.3199		2.8311	1.3168	1.3250	2.0865
Br3	1.8891	2.8311		3.1662	4.0849	2.5576
F4	2.3515	1.3168	3.1662		2.1732	3.3112
F5	2.3253	1.3250	4.0849	2.1732		2.5996
H6	1.0770	2.0865	2.5576	3.3112	2.5996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.217	C1	C2	F5	123.090
C2	C1	Br3	122.844	C2	C1	H6	120.701
Br3	C1	H6	116.455	F4	C2	F5	110.694

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

using model chemistry: B3LYP/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	-0.248
2	C	0.382
3	Br	-0.031
4	F	-0.144
5	F	-0.154
6	H	0.195

	x	y	z	Total
	-0.515	0.867	0.000	1.009
CHELPG
AIM
ESP

	x	y	z
x	8.115	1.397	0.000
y	1.397	5.961	0.000
z	0.000	0.000	3.701

<r²>	214.252
(<r²>)^1/2	14.637

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

using model chemistry: B3LYP/TZVP

States and conformations

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