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	hartrees
Energy at 0K	-2810.366881
Energy at 298.15K	-2810.371870
HF Energy	-2809.708025
Nuclear repulsion energy	257.138348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3046	24.18
2	A'	1319	1265	116.63
3	A'	1143	1097	268.85
4	A'	725	696	108.63
5	A'	586	563	7.23
6	A'	326	313	0.11
7	A"	1399	1342	36.29
8	A"	1199	1151	203.64
9	A"	319	306	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.916	0.000
H2	-1.522	-0.982	0.000
Br3	0.077	0.966	0.000
F4	0.077	-1.518	1.090
F5	0.077	-1.518	-1.090

	C1	H2	Br3	F4	F5
C1		1.0995	1.9480	1.3426	1.3426
H2	1.0995		2.5199	2.0085	2.0085
Br3	1.9480	2.5199		2.7129	2.7129
F4	1.3426	2.0085	2.7129		2.1805
F5	1.3426	2.0085	2.7129	2.1805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.318	H2	C1	F4	110.267
H2	C1	F5	110.267	Br3	C1	F4	109.693
Br3	C1	F5	109.693	F4	C1	F5	108.595

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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