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	hartrees
Energy at 0K	-2810.760763
Energy at 298.15K
HF Energy	-2809.870527
Nuclear repulsion energy	259.358881

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'	3187	3026	11.32	79.71	0.23	0.37
2	A'	1328	1261	88.82	2.47	0.30	0.46
3	A'	1136	1079	261.28	1.53	0.70	0.82
4	A'	741	703	115.40	10.41	0.22	0.36
5	A'	590	560	5.74	1.98	0.28	0.44
6	A'	333	316	0.09	4.43	0.32	0.48
7	A"	1396	1325	13.45	3.20	0.75	0.86
8	A"	1173	1114	206.33	1.48	0.75	0.86
9	A"	322	306	0.28	1.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.902	0.000
H2	-1.505	-0.970	0.000
Br3	0.076	0.956	0.000
F4	0.076	-1.504	1.085
F5	0.076	-1.504	-1.085

	C1	H2	Br3	F4	F5
C1		1.0845	1.9240	1.3375	1.3375
H2	1.0845		2.4915	1.9908	1.9908
Br3	1.9240	2.4915		2.6891	2.6891
F4	1.3375	1.9908	2.6891		2.1705
F5	1.3375	1.9908	2.6891	2.1705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.579	H2	C1	F4	110.129
H2	C1	F5	110.129	Br3	C1	F4	109.765
Br3	C1	F5	109.765	F4	C1	F5	108.467

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

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

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