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	hartrees
Energy at 0K	-1416.871159
Energy at 298.15K	-1416.871313
HF Energy	-1416.871159
Nuclear repulsion energy	264.078911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2487	2244	0.57
2	A₁	708	639	9.45
3	A₁	401	362	0.93
4	E	1043	941	94.00
4	E	1043	941	94.00
5	E	834	753	98.67
5	E	834	753	98.67
6	E	287	259	0.30
6	E	287	259	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.449
H2	0.000	0.000	1.522
Cl3	0.000	1.680	-0.083
Cl4	1.455	-0.840	-0.083
Cl5	-1.455	-0.840	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0726	1.7626	1.7626	1.7626
H2	1.0726		2.3235	2.3235	2.3235
Cl3	1.7626	2.3235		2.9105	2.9105
Cl4	1.7626	2.3235	2.9105		2.9105
Cl5	1.7626	2.3235	2.9105	2.9105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.568	D2	C1	Cl4	107.568
D2	C1	Cl5	107.568	Cl3	C1	Cl4	111.306
Cl3	C1	Cl5	111.306	Cl4	C1	Cl5	111.306

All results from a given calculation for CDCl₃ (trichloromethane-d)

using model chemistry: HF/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	-0.355
2	H	0.254
3	Cl	0.034
4	Cl	0.034
5	Cl	0.034

	x	y	z	Total
	0.000	0.000	1.360	1.360
CHELPG
AIM
ESP

<r²>	175.483
(<r²>)^1/2	13.247

All results from a given calculation for CDCl3 (trichloromethane-d)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CDCl₃ (trichloromethane-d)