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	hartrees
Energy at 0K	-7759.857204
Energy at 298.15K	-7759.866833
Nuclear repulsion energy	796.191533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	3099	1.46
2	A₁	521	516	0.21
3	A₁	216	214	0.00
4	E	1138	1126	36.95
4	E	1138	1126	36.93
5	E	601	595	149.87
5	E	601	595	149.89
6	E	147	145	0.08
6	E	147	145	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.519
H2	0.000	0.000	1.609
Br3	0.000	1.870	-0.045
Br4	1.620	-0.935	-0.045
Br5	-1.620	-0.935	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0899	1.9533	1.9533	1.9533
H2	1.0899		2.4963	2.4963	2.4963
Br3	1.9533	2.4963		3.2393	3.2393
Br4	1.9533	2.4963	3.2393		3.2393
Br5	1.9533	2.4963	3.2393	3.2393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.770	H2	C1	Br4	106.770
H2	C1	Br5	106.770	Br3	C1	Br4	112.032
Br3	C1	Br5	112.032	Br4	C1	Br5	112.032

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: PBEPBE/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	-0.591
2	H	0.342
3	Br	0.083
4	Br	0.083
5	Br	0.083

	x	y	z	Total
	0.000	0.000	0.968	0.968
CHELPG
AIM
ESP

	x	y	z
x	10.770	0.000	0.000
y	0.000	10.770	-0.000
z	0.000	-0.000	5.459

<r²>	409.283
(<r²>)^1/2	20.231

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)