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	hartrees
Energy at 0K	-2849.313695
Energy at 298.15K	-2849.317922
HF Energy	-2849.313695
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3159	12.61
2	A'	1738	1704	193.15
3	A'	1324	1298	99.34
4	A'	1170	1148	123.29
5	A'	945	926	96.31
6	A'	742	728	13.85
7	A'	550	540	3.09
8	A'	358	351	0.93
9	A'	170	166	1.12
10	A"	721	707	42.80
11	A"	574	563	3.53
12	A"	204	200	0.03

Atom	x (Å)	y (Å)
C1	0.000	0.844
C2	1.314	0.604
Br3	-1.271	-0.554
F4	1.883	-0.593
F5	2.227	1.575
H6	-0.383	1.858

	C1	C2	Br3	F4	F5	H6
C1		1.3354	1.8897	2.3688	2.3436	1.0840
C2	1.3354		2.8324	1.3256	1.3326	2.1098
Br3	1.8897	2.8324		3.1543	4.0948	2.5708
F4	2.3688	1.3256	3.1543		2.1947	3.3381
F5	2.3436	1.3326	4.0948	2.1947		2.6250
H6	1.0840	2.1098	2.5708	3.3381	2.6250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.669	C1	C2	F5	122.713
C2	C1	Br3	122.326	C2	C1	H6	120.909
Br3	C1	H6	116.765	F4	C2	F5	111.618

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

using model chemistry: B97D3/6-31G*

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	-0.294
2	C	0.578
3	Br	-0.057
4	F	-0.209
5	F	-0.223
6	H	0.205

	x	y	z	Total
	-0.058	0.872	0.000	0.874
CHELPG
AIM
ESP

	x	y	z
x	7.866	1.254	0.000
y	1.254	5.630	0.000
z	0.000	0.000	3.187

<r²>	213.623
(<r²>)^1/2	14.616

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

using model chemistry: B97D3/6-31G*

States and conformations

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