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	hartrees
Energy at 0K	-1403.780451
Energy at 298.15K	-1403.781973
HF Energy	-1403.780451
Nuclear repulsion energy	254.617610

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	3395	3395	3.83	35.54	0.36	0.53
2	A₁	701	701	19.62	9.99	0.00	0.00
3	A₁	369	369	4.42	6.33	0.31	0.47
4	E	1291	1291	28.30	6.92	0.75	0.86
4	E	1291	1291	28.49	6.93	0.75	0.86
5	E	896	896	119.33	5.57	0.75	0.86
5	E	896	896	119.30	5.51	0.75	0.86
6	E	252	252	1.65	4.33	0.75	0.86
6	E	252	252	1.66	4.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.469
H2	0.000	0.000	1.581
Cl3	0.000	1.742	-0.086
Cl4	1.509	-0.871	-0.086
Cl5	-1.509	-0.871	-0.086

	C1	H2	Cl3	Cl4	Cl5
C1		1.1120	1.8287	1.8287	1.8287
H2	1.1120		2.4115	2.4115	2.4115
Cl3	1.8287	2.4115		3.0180	3.0180
Cl4	1.8287	2.4115	3.0180		3.0180
Cl5	1.8287	2.4115	3.0180	3.0180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.670	H2	C1	Cl4	107.670
H2	C1	Cl5	107.670	Cl3	C1	Cl4	111.211
Cl3	C1	Cl5	111.211	Cl4	C1	Cl5	111.211

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: wB97X-D/STO-3G

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	0.019
2	H	0.164
3	Cl	-0.061
4	Cl	-0.061
5	Cl	-0.061

	x	y	z	Total
	0.000	0.000	1.578	1.578
CHELPG
AIM
ESP

	x	y	z
x	3.690	0.000	0.000
y	0.000	3.683	0.002
z	0.000	0.002	1.200

<r²>	185.098
(<r²>)^1/2	13.605

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)