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	hartrees
Energy at 0K	-2812.186463
Energy at 298.15K
HF Energy	-2811.862616
Nuclear repulsion energy	258.067187

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'	3171	3042	6.01	84.95	0.21	0.35
2	A'	1310	1257	75.09	4.34	0.10	0.18
3	A'	1107	1062	266.19	1.18	0.75	0.86
4	A'	718	689	120.42	14.60	0.12	0.21
5	A'	581	557	5.24	2.39	0.16	0.28
6	A'	322	309	0.16	5.45	0.23	0.37
7	A"	1375	1319	7.76	2.57	0.75	0.86
8	A"	1128	1082	213.35	1.76	0.75	0.86
9	A"	314	301	0.12	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.426	-0.910	0.000
H2	-1.506	-0.979	0.000
Br3	0.077	0.962	0.000
F4	0.077	-1.514	1.086
F5	0.077	-1.514	-1.086

	C1	H2	Br3	F4	F5
C1		1.0830	1.9386	1.3407	1.3407
H2	1.0830		2.5051	1.9930	1.9930
Br3	1.9386	2.5051		2.7042	2.7042
F4	1.3407	1.9930	2.7042		2.1730
F5	1.3407	1.9930	2.7042	2.1730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.676	H2	C1	F4	110.182
H2	C1	F5	110.182	Br3	C1	F4	109.760
Br3	C1	F5	109.760	F4	C1	F5	108.274

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

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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