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	hartrees
Energy at 0K	-2711.689628
Energy at 298.15K	-2711.695089
HF Energy	-2710.976790
Nuclear repulsion energy	165.415097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3106	3003
2	A'	1506	1456
3	A'	1350	1305
4	A'	1085	1049
5	A'	665	643
6	A'	316	305
7	A"	3186	3080
8	A"	1251	1209
9	A"	952	921

Atom	x (Å)	y (Å)	z (Å)
C1	0.519	-1.107	0.000
F2	-0.588	-1.907	0.000
Br3	0.000	0.754	0.000
H4	1.092	-1.284	0.906
H5	1.092	-1.284	-0.906

	C1	F2	Br3	H4	H5
C1		1.3659	1.9318	1.0865	1.0865
F2	1.3659		2.7251	2.0081	2.0081
Br3	1.9318	2.7251		2.4829	2.4829
H4	1.0865	2.0081	2.4829		1.8118
H5	1.0865	2.0081	2.4829	1.8118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.278	F2	C1	H4	109.407
F2	C1	H5	109.407	Br3	C1	H4	107.364
Br3	C1	H5	107.364	H4	C1	H5	112.977

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: QCISD(T)/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 CH2BrF (Methane, bromofluoro-)

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

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)