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	hartrees
Energy at 0K	-1418.629294
Energy at 298.15K	-1418.630863
HF Energy	-1418.629294
Nuclear repulsion energy	259.956324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3110	3067	0.02	76.14	0.29	0.45
2	A₁	654	645	6.39	10.11	0.00	0.00
3	A₁	361	356	0.35	11.15	0.24	0.38
4	E	1204	1187	25.09	8.41	0.75	0.86
4	E	1204	1187	25.09	8.41	0.75	0.86
5	E	712	702	207.97	1.89	0.75	0.86
5	E	712	702	207.96	1.89	0.75	0.86
6	E	255	252	0.00	5.95	0.75	0.86
6	E	255	252	0.00	5.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.453
H2	0.000	0.000	1.548
Cl3	0.000	1.707	-0.084
Cl4	1.479	-0.854	-0.084
Cl5	-1.479	-0.854	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0953	1.7896	1.7896	1.7896
H2	1.0953		2.3616	2.3616	2.3616
Cl3	1.7896	2.3616		2.9572	2.9572
Cl4	1.7896	2.3616	2.9572		2.9572
Cl5	1.7896	2.3616	2.9572	2.9572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.436	H2	C1	Cl4	107.436
H2	C1	Cl5	107.436	Cl3	C1	Cl4	111.427
Cl3	C1	Cl5	111.427	Cl4	C1	Cl5	111.427

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: PBEPBE/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	-0.428
2	H	0.258
3	Cl	0.056
4	Cl	0.056
5	Cl	0.056

	x	y	z	Total
	0.000	0.000	1.241	1.241
CHELPG
AIM
ESP

<r²>	179.729
(<r²>)^1/2	13.406

All results from a given calculation for CHCl3 (Chloroform)

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

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)