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	hartrees
Energy at 0K	-2810.428948
Energy at 298.15K
HF Energy	-2809.745158
Nuclear repulsion energy	258.189829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3036	20.74
2	A'	1360	1296	123.13
3	A'	1155	1101	271.59
4	A'	739	705	112.03
5	A'	594	566	7.22
6	A'	331	316	0.09
7	A"	1427	1360	27.80
8	A"	1199	1143	213.17
9	A"	325	310	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.912	0.000
H2	-1.509	-0.991	0.000
Br3	0.076	0.962	0.000
F4	0.076	-1.512	1.086
F5	0.076	-1.512	-1.086

	C1	H2	Br3	F4	F5
C1		1.0893	1.9397	1.3372	1.3372
H2	1.0893		2.5157	1.9909	1.9909
Br3	1.9397	2.5157		2.7026	2.7026
F4	1.3372	1.9909	2.7026		2.1713
F5	1.3372	1.9909	2.7026	2.1713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.058	H2	C1	F4	109.849
H2	C1	F5	109.849	Br3	C1	F4	109.759
Br3	C1	F5	109.759	F4	C1	F5	108.557

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

using model chemistry: CCSD/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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All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: CCSD/6-311G*

States and conformations

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