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	hartrees
Energy at 0K	-1419.168654
Energy at 298.15K	-1419.170360
HF Energy	-1419.168654
Nuclear repulsion energy	262.947604

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	3211	3058	0.92	76.35	0.24	0.39
2	A₁	682	650	6.38	11.37	0.01	0.02
3	A₁	377	359	0.49	7.83	0.21	0.35
4	E	1266	1206	26.69	5.79	0.75	0.86
4	E	1266	1206	26.57	5.82	0.75	0.86
5	E	794	756	167.38	5.48	0.75	0.86
5	E	794	756	167.78	5.55	0.75	0.86
6	E	266	254	0.20	4.00	0.75	0.86
6	E	266	254	0.20	4.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.455
H2	0.000	0.000	1.541
Cl3	0.000	1.687	-0.084
Cl4	1.461	-0.843	-0.084
Cl5	-1.461	-0.843	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0856	1.7707	1.7707	1.7707
H2	1.0856		2.3418	2.3418	2.3418
Cl3	1.7707	2.3418		2.9214	2.9214
Cl4	1.7707	2.3418	2.9214		2.9214
Cl5	1.7707	2.3418	2.9214	2.9214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.720	H2	C1	Cl4	107.720
H2	C1	Cl5	107.720	Cl3	C1	Cl4	111.164
Cl3	C1	Cl5	111.164	Cl4	C1	Cl5	111.164

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: M06-2X/6-31+G**

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	-0.476
2	H	0.287
3	Cl	0.063
4	Cl	0.063
5	Cl	0.063

	x	y	z	Total
	0.000	0.000	1.282	1.282
CHELPG
AIM
ESP

	x	y	z
x	7.773	0.000	0.000
y	0.000	7.776	-0.000
z	0.000	-0.000	5.161

<r²>	176.550
(<r²>)^1/2	13.287

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)