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	hartrees
Energy at 0K	-2810.462322
Energy at 298.15K
HF Energy	-2809.729899
Nuclear repulsion energy	256.161018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3086
2	A'	1289	1261
3	A'	1078	1054
4	A'	716	700
5	A'	555	543
6	A'	323	316
7	A"	1339	1309
8	A"	1102	1077
9	A"	314	307

Atom	x (Å)	y (Å)	z (Å)
C1	-0.435	-0.905	0.000
H2	-1.532	-0.987	0.000
Br3	0.078	0.966	0.000
F4	0.078	-1.522	1.101
F5	0.078	-1.522	-1.101

	C1	H2	Br3	F4	F5
C1		1.0994	1.9398	1.3626	1.3626
H2	1.0994		2.5307	2.0225	2.0225
Br3	1.9398	2.5307		2.7203	2.7203
F4	1.3626	2.0225	2.7203		2.2023
F5	1.3626	2.0225	2.7203	2.2023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.630	H2	C1	F4	110.002
H2	C1	F5	110.002	Br3	C1	F4	109.680
Br3	C1	F5	109.680	F4	C1	F5	107.822

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

using model chemistry: QCISD(T)/aug-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(T)/aug-cc-pVDZ

States and conformations

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