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	hartrees
Energy at 0K	-1419.307340
Energy at 298.15K	-1419.309033
HF Energy	-1419.307340
Nuclear repulsion energy	261.817183

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	3206	3062	0.16	67.83	0.24	0.39
2	A₁	681	650	7.49	8.63	0.00	0.01
3	A₁	372	355	0.46	8.21	0.27	0.42
4	E	1254	1198	32.28	4.65	0.75	0.86
4	E	1254	1198	32.38	4.64	0.75	0.86
5	E	779	744	173.13	4.80	0.75	0.86
5	E	779	744	173.15	4.80	0.75	0.86
6	E	264	252	0.09	5.58	0.75	0.86
6	E	264	252	0.09	5.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.456
H2	0.000	0.000	1.538
Cl3	0.000	1.695	-0.084
Cl4	1.467	-0.847	-0.084
Cl5	-1.467	-0.847	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0820	1.7783	1.7783	1.7783
H2	1.0820		2.3454	2.3454	2.3454
Cl3	1.7783	2.3454		2.9350	2.9350
Cl4	1.7783	2.3454	2.9350		2.9350
Cl5	1.7783	2.3454	2.9350	2.9350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.662	H2	C1	Cl4	107.662
H2	C1	Cl5	107.662	Cl3	C1	Cl4	111.218
Cl3	C1	Cl5	111.218	Cl4	C1	Cl5	111.218

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: wB97X-D/TZVP

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	-0.140
2	H	0.219
3	Cl	-0.026
4	Cl	-0.026
5	Cl	-0.026

	x	y	z	Total
	0.000	0.000	1.249	1.249
CHELPG
AIM
ESP

<r²>	177.594
(<r²>)^1/2	13.326

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)