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	hartrees
Energy at 0K	-2812.556331
Energy at 298.15K
HF Energy	-2812.556331
Nuclear repulsion energy	258.214141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3159	3022	18.47	82.66	0.25	0.40
2	A'	1317	1260	108.62	3.28	0.57	0.72
3	A'	1134	1084	301.96	1.65	0.63	0.77
4	A'	726	694	129.62	12.30	0.28	0.44
5	A'	590	564	6.59	2.05	0.40	0.57
6	A'	326	312	0.32	5.23	0.36	0.53
7	A"	1396	1336	22.52	5.00	0.75	0.86
8	A"	1165	1115	234.49	2.04	0.75	0.86
9	A"	320	306	0.44	2.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.915	0.000
H2	-1.510	-0.982	0.000
Br3	0.076	0.963	0.000
F4	0.076	-1.513	1.084
F5	0.076	-1.513	-1.084

	C1	H2	Br3	F4	F5
C1		1.0882	1.9429	1.3352	1.3352
H2	1.0882		2.5092	1.9931	1.9931
Br3	1.9429	2.5092		2.7023	2.7023
F4	1.3352	1.9931	2.7023		2.1685
F5	1.3352	1.9931	2.7023	2.1685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.438	H2	C1	F4	110.245
H2	C1	F5	110.245	Br3	C1	F4	109.655
Br3	C1	F5	109.655	F4	C1	F5	108.593

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: wB97X-D/6-311G**

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	0.270
2	H	0.152
3	Br	-0.051
4	F	-0.185
5	F	-0.185

	x	y	z	Total
	-1.489	-0.047	0.000	1.490
CHELPG
AIM
ESP

	x	y	z
x	3.120	0.535	0.000
y	0.535	5.581	0.000
z	0.000	0.000	3.153

<r²>	125.600
(<r²>)^1/2	11.207

All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)