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	hartrees
Energy at 0K	-1419.327793
Energy at 298.15K	-1419.329263
HF Energy	-1419.327793
Nuclear repulsion energy	258.890574

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	3098	3098	0.11	69.72	0.22	0.37
2	A₁	633	633	4.11	10.18	0.01	0.01
3	A₁	345	345	0.11	9.53	0.19	0.32
4	E	1188	1188	20.58	2.35	0.75	0.86
4	E	1188	1188	20.58	2.34	0.75	0.86
5	E	663	663	182.21	3.15	0.75	0.86
5	E	663	663	182.21	3.15	0.75	0.86
6	E	244	244	0.09	4.84	0.75	0.86
6	E	244	244	0.09	4.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
H2	0.000	0.000	1.545
Cl3	0.000	1.714	-0.084
Cl4	1.485	-0.857	-0.084
Cl5	-1.485	-0.857	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0866	1.7982	1.7982	1.7982
H2	1.0866		2.3650	2.3650	2.3650
Cl3	1.7982	2.3650		2.9694	2.9694
Cl4	1.7982	2.3650	2.9694		2.9694
Cl5	1.7982	2.3650	2.9694	2.9694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.560	H2	C1	Cl4	107.560
H2	C1	Cl5	107.560	Cl3	C1	Cl4	111.313
Cl3	C1	Cl5	111.313	Cl4	C1	Cl5	111.313

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: BLYP/Def2TZVPP

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	0.012
2	H	0.188
3	Cl	-0.067
4	Cl	-0.067
5	Cl	-0.067

	x	y	z	Total
	0.000	0.000	1.052	1.052
CHELPG
AIM
ESP

<r²>	181.077
(<r²>)^1/2	13.456

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)