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	hartrees
Energy at 0K	-2810.097641
Energy at 298.15K
HF Energy	-2810.097641
Nuclear repulsion energy	259.068609

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'	3196	3043	7.45	92.91	0.25	0.40
2	A'	1318	1255	99.37	3.85	0.40	0.57
3	A'	1154	1099	279.86	1.29	0.66	0.80
4	A'	727	693	132.32	14.80	0.17	0.29
5	A'	583	555	7.35	1.66	0.29	0.45
6	A'	331	315	0.06	4.54	0.34	0.50
7	A"	1381	1315	24.02	4.26	0.75	0.86
8	A"	1191	1134	219.28	2.07	0.75	0.86
9	A"	321	306	0.29	1.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.432	-0.903	0.000
H2	-1.518	-0.980	0.000
Br3	0.077	0.957	0.000
F4	0.077	-1.505	1.084
F5	0.077	-1.505	-1.084

	C1	H2	Br3	F4	F5
C1		1.0888	1.9283	1.3401	1.3401
H2	1.0888		2.5091	1.9986	1.9986
Br3	1.9283	2.5091		2.6896	2.6896
F4	1.3401	1.9986	2.6896		2.1678
F5	1.3401	1.9986	2.6896	2.1678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.360	H2	C1	F4	110.314
H2	C1	F5	110.314	Br3	C1	F4	109.435
Br3	C1	F5	109.435	F4	C1	F5	107.959

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

using model chemistry: M06-2X/6-31+G**

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	0.363
2	H	0.185
3	Br	-0.072
4	F	-0.238
5	F	-0.238

	x	y	z	Total
	-1.554	0.120	0.000	1.558
CHELPG
AIM
ESP

	x	y	z
x	4.135	0.419	0.000
y	0.419	6.148	0.000
z	0.000	0.000	4.182

<r²>	125.098
(<r²>)^1/2	11.185

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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