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	hartrees
Energy at 0K	-1419.296884
Energy at 298.15K	-1419.298579
HF Energy	-1419.296884
Nuclear repulsion energy	262.156837

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	3193	3057	1.82	60.38	0.18	0.31
2	A₁	681	652	4.27	14.00	0.02	0.03
3	A₁	372	356	0.30	7.05	0.13	0.22
4	E	1223	1171	21.15	2.02	0.75	0.86
4	E	1223	1171	21.22	2.03	0.75	0.86
5	E	782	749	154.58	4.19	0.75	0.86
5	E	782	749	154.49	4.17	0.75	0.86
6	E	265	253	0.03	2.62	0.75	0.86
6	E	265	253	0.03	2.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.462
H2	0.000	0.000	1.552
Cl3	0.000	1.691	-0.085
Cl4	1.464	-0.845	-0.085
Cl5	-1.464	-0.845	-0.085

	C1	H2	Cl3	Cl4	Cl5
C1		1.0906	1.7770	1.7770	1.7770
H2	1.0906		2.3535	2.3535	2.3535
Cl3	1.7770	2.3535		2.9288	2.9288
Cl4	1.7770	2.3535	2.9288		2.9288
Cl5	1.7770	2.3535	2.9288	2.9288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.905	H2	C1	Cl4	107.905
H2	C1	Cl5	107.905	Cl3	C1	Cl4	110.991
Cl3	C1	Cl5	110.991	Cl4	C1	Cl5	110.991

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	-0.653
2	H	0.188
3	Cl	0.155
4	Cl	0.155
5	Cl	0.155

	x	y	z	Total
	0.000	0.000	1.132	1.132
CHELPG
AIM
ESP

<r²>	177.050
(<r²>)^1/2	13.306

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)