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	hartrees
Energy at 0K	-2850.748610
Energy at 298.15K	-2850.753015
HF Energy	-2850.748610
Nuclear repulsion energy	310.833269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3135	18.15
2	A'	1804	1726	256.11
3	A'	1359	1300	126.24
4	A'	1194	1142	135.37
5	A'	990	947	104.73
6	A'	791	757	8.42
7	A'	581	556	3.36
8	A'	381	364	0.82
9	A'	171	164	1.30
10	A"	770	737	41.14
11	A"	628	601	0.08
12	A"	213	204	0.14

Atom	x (Å)	y (Å)
C1	0.000	0.829
C2	1.299	0.605
Br3	-1.258	-0.555
F4	1.877	-0.565
F5	2.193	1.565
H6	-0.383	1.835

	C1	C2	Br3	F4	F5	H6
C1		1.3188	1.8712	2.3380	2.3127	1.0758
C2	1.3188		2.8086	1.3043	1.3114	2.0840
Br3	1.8712	2.8086		3.1351	4.0503	2.5457
F4	2.3380	1.3043	3.1351		2.1531	3.2961
F5	2.3127	1.3114	4.0503	2.1531		2.5895
H6	1.0758	2.0840	2.5457	3.2961	2.5895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.082	C1	C2	F5	123.116
C2	C1	Br3	122.445	C2	C1	H6	120.653
Br3	C1	H6	116.902	F4	C2	F5	110.802

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

using model chemistry: wB97X-D/aug-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	-0.602
2	C	0.699
3	Br	0.051
4	F	-0.217
5	F	-0.289
6	H	0.358

	x	y	z	Total
	-0.299	0.891	0.000	0.940
CHELPG
AIM
ESP

	x	y	z
x	9.238	1.091	0.000
y	1.091	6.996	0.000
z	0.000	0.000	5.349

<r²>	210.890
(<r²>)^1/2	14.522

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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