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	hartrees
Energy at 0K	-1419.285598
Energy at 298.15K	-1419.287292
HF Energy	-1419.285598
Nuclear repulsion energy	261.931487

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	3190	3038	0.10	73.22	0.22	0.37
2	A₁	680	648	7.16	9.27	0.00	0.00
3	A₁	372	354	0.42	8.52	0.25	0.41
4	E	1231	1172	25.10	4.71	0.75	0.86
4	E	1230	1172	25.17	4.71	0.75	0.86
5	E	784	747	173.05	3.08	0.75	0.86
5	E	784	747	173.05	3.08	0.75	0.86
6	E	266	253	0.05	5.40	0.75	0.86
6	E	266	253	0.05	5.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
H2	0.000	0.000	1.551
Cl3	0.000	1.693	-0.084
Cl4	1.466	-0.846	-0.084
Cl5	-1.466	-0.846	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0932	1.7776	1.7776	1.7776
H2	1.0932		2.3538	2.3538	2.3538
Cl3	1.7776	2.3538		2.9322	2.9322
Cl4	1.7776	2.3538	2.9322		2.9322
Cl5	1.7776	2.3538	2.9322	2.9322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.759	H2	C1	Cl4	107.759
H2	C1	Cl5	107.759	Cl3	C1	Cl4	111.128
Cl3	C1	Cl5	111.128	Cl4	C1	Cl5	111.128

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: wB97X-D/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	-0.155
2	H	0.169
3	Cl	-0.005
4	Cl	-0.005
5	Cl	-0.005

	x	y	z	Total
	0.000	0.000	1.197	1.197
CHELPG
AIM
ESP

<r²>	177.094
(<r²>)^1/2	13.308

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)