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	hartrees
Energy at 0K	-7761.075828
Energy at 298.15K	-7761.085574
Nuclear repulsion energy	802.849603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3084	2.29
2	A₁	540	520	0.42
3	A₁	225	217	0.00
4	E	1171	1128	38.34
4	E	1171	1128	38.36
5	E	650	626	127.42
5	E	650	626	127.46
6	E	153	147	0.01
6	E	153	147	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.597
Br3	0.000	1.855	-0.045
Br4	1.606	-0.927	-0.045
Br5	-1.606	-0.927	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0828	1.9371	1.9371	1.9371
H2	1.0828		2.4771	2.4771	2.4771
Br3	1.9371	2.4771		3.2124	3.2124
Br4	1.9371	2.4771	3.2124		3.2124
Br5	1.9371	2.4771	3.2124	3.2124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.779	H2	C1	Br4	106.779
H2	C1	Br5	106.779	Br3	C1	Br4	112.024
Br3	C1	Br5	112.024	Br4	C1	Br5	112.024

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3PW91/6-311G**

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	-0.469
2	H	0.264
3	Br	0.068
4	Br	0.068
5	Br	0.068

	x	y	z	Total
	0.000	0.000	0.985	0.985
CHELPG
AIM
ESP

<r²>	403.009
(<r²>)^1/2	20.075

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CHBr₃ (bromoform)