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	hartrees
Energy at 0K	-5281.688427
Energy at 298.15K
HF Energy	-5281.688427
Nuclear repulsion energy	479.653669

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'	3192	3062	2.50	82.05	0.27	0.43
2	A'	1328	1274	21.51	5.10	0.73	0.84
3	A'	1123	1078	179.35	1.27	0.75	0.85
4	A'	610	585	26.40	10.72	0.10	0.18
5	A'	346	331	0.70	5.30	0.18	0.30
6	A'	170	163	0.01	4.10	0.45	0.62
7	A"	1187	1139	97.67	3.04	0.75	0.86
8	A"	670	642	218.21	3.98	0.75	0.86
9	A"	286	274	0.46	2.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.805	0.000
H2	-1.015	1.394	0.000
F3	0.982	1.604	0.000
Br4	-0.103	-0.295	1.608
Br5	-0.103	-0.295	-1.608

	C1	H2	F3	Br4	Br5
C1		1.0858	1.3476	1.9487	1.9487
H2	1.0858		2.0083	2.5046	2.5046
F3	1.3476	2.0083		2.7149	2.7149
Br4	1.9487	2.5046	2.7149		3.2169
Br5	1.9487	2.5046	2.7149	3.2169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.779	H2	C1	Br4	107.844
H2	C1	Br5	107.844	F3	C1	Br4	109.548
F3	C1	Br5	109.548	Br4	C1	Br5	111.258

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: TPSSh/6-31G*

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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Number	Element	Mulliken
1	C	0.111
2	H	0.240
3	F	-0.221
4	Br	-0.065
5	Br	-0.065

	x	y	z	Total
	-0.999	0.667	0.000	1.201
CHELPG
AIM
ESP

	x	y	z
x	4.785	0.182	0.000
y	0.182	5.849	0.000
z	0.000	0.000	9.292

<r²>	255.678
(<r²>)^1/2	15.990

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)