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	hartrees
Energy at 0K	-2850.679474
Energy at 298.15K	-2850.683809
HF Energy	-2850.679474
Nuclear repulsion energy	309.598105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3147	15.72
2	A'	1762	1706	231.63
3	A'	1328	1286	100.80
4	A'	1180	1143	143.74
5	A'	965	935	106.94
6	A'	772	747	9.62
7	A'	565	547	3.14
8	A'	371	359	0.92
9	A'	163	158	1.26
10	A"	754	730	40.98
11	A"	605	586	1.12
12	A"	213	206	0.08

Atom	x (Å)	y (Å)
C1	0.000	0.833
C2	1.305	0.604
Br3	-1.264	-0.555
F4	1.881	-0.575
F5	2.205	1.568
H6	-0.385	1.839

	C1	C2	Br3	F4	F5	H6
C1		1.3254	1.8769	2.3497	2.3243	1.0771
C2	1.3254		2.8180	1.3116	1.3190	2.0940
Br3	1.8769	2.8180		3.1448	4.0667	2.5496
F4	2.3497	1.3116	3.1448		2.1673	3.3111
F5	2.3243	1.3190	4.0667	2.1673		2.6046
H6	1.0771	2.0940	2.5496	3.3111	2.6046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.012	C1	C2	F5	123.034
C2	C1	Br3	122.342	C2	C1	H6	120.941
Br3	C1	H6	116.717	F4	C2	F5	110.954

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

using model chemistry: TPSSh/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	-0.260
2	C	0.358
3	Br	-0.015
4	F	-0.107
5	F	-0.122
6	H	0.146

	x	y	z	Total
	-0.196	0.899	0.000	0.920
CHELPG
AIM
ESP

	x	y	z
x	8.419	1.326	0.000
y	1.326	6.216	0.000
z	0.000	0.000	3.915

<r²>	212.030
(<r²>)^1/2	14.561

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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