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	hartrees
Energy at 0K	-1419.350214
Energy at 298.15K	-1419.351906
HF Energy	-1419.350214
Nuclear repulsion energy	263.208982

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	3196	3058	1.51	59.58	0.18	0.30
2	A₁	683	653	4.10	13.90	0.02	0.03
3	A₁	371	355	0.30	7.08	0.11	0.20
4	E	1248	1194	21.05	2.14	0.75	0.86
4	E	1248	1193	21.12	2.14	0.75	0.86
5	E	780	746	148.49	3.81	0.75	0.86
5	E	780	746	148.53	3.81	0.75	0.86
6	E	262	251	0.03	2.33	0.75	0.86
6	E	262	251	0.03	2.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.457
H2	0.000	0.000	1.538
Cl3	0.000	1.685	-0.084
Cl4	1.459	-0.842	-0.084
Cl5	-1.459	-0.842	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0808	1.7695	1.7695	1.7695
H2	1.0808		2.3384	2.3384	2.3384
Cl3	1.7695	2.3384		2.9182	2.9182
Cl4	1.7695	2.3384	2.9182		2.9182
Cl5	1.7695	2.3384	2.9182	2.9182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.794	H2	C1	Cl4	107.794
H2	C1	Cl5	107.794	Cl3	C1	Cl4	111.095
Cl3	C1	Cl5	111.095	Cl4	C1	Cl5	111.095

All results from a given calculation for CHCl₃ (Chloroform)

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

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	0.193
2	H	0.244
3	Cl	-0.145
4	Cl	-0.145
5	Cl	-0.145

	x	y	z	Total
	0.000	0.000	1.108	1.108
CHELPG
AIM
ESP

<r²>	175.801
(<r²>)^1/2	13.259

All results from a given calculation for CHCl3 (Chloroform)

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

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)