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	hartrees
Energy at 0K	-1416.952580
Energy at 298.15K	-1416.952730
HF Energy	-1416.952580
Nuclear repulsion energy	263.912006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2499	2260	1.26
2	A₁	703	635	6.99
3	A₁	397	360	0.36
4	E	1047	947	99.74
4	E	1047	947	99.74
5	E	826	747	113.13
5	E	826	747	113.13
6	E	288	260	0.09
6	E	288	260	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.451
H2	0.000	0.000	1.520
Cl3	0.000	1.681	-0.083
Cl4	1.456	-0.841	-0.083
Cl5	-1.456	-0.841	-0.083

	C1	H2	Cl3	Cl4	Cl5
C1		1.0697	1.7641	1.7641	1.7641
H2	1.0697		2.3233	2.3233	2.3233
Cl3	1.7641	2.3233		2.9124	2.9124
Cl4	1.7641	2.3233	2.9124		2.9124
Cl5	1.7641	2.3233	2.9124	2.9124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	Cl3	107.603	D2	C1	Cl4	107.603
D2	C1	Cl5	107.603	Cl3	C1	Cl4	111.273
Cl3	C1	Cl5	111.273	Cl4	C1	Cl5	111.273

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

using model chemistry: HF/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	-0.345
2	H	0.339
3	Cl	0.002
4	Cl	0.002
5	Cl	0.002

	x	y	z	Total
	0.000	0.000	1.355	1.355
CHELPG
AIM
ESP

<r²>	176.040
(<r²>)^1/2	13.268

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

using model chemistry: HF/6-311G*

States and conformations

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