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	hartrees
Energy at 0K	-1419.347000
Energy at 298.15K	-1419.348451
HF Energy	-1419.347000
Nuclear repulsion energy	258.215281

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	3102	3102	1.12	65.70	0.19	0.31
2	A₁	629	629	3.41	15.64	0.02	0.03
3	A₁	342	342	0.13	10.51	0.11	0.20
4	E	1184	1184	20.70	2.06	0.75	0.86
4	E	1184	1184	20.69	2.06	0.75	0.86
5	E	657	657	180.20	3.40	0.75	0.86
5	E	657	657	180.22	3.35	0.75	0.86
6	E	242	242	0.12	3.22	0.75	0.86
6	E	242	242	0.12	3.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.461
H2	0.000	0.000	1.546
Cl3	0.000	1.719	-0.085
Cl4	1.489	-0.859	-0.085
Cl5	-1.489	-0.859	-0.085

	C1	H2	Cl3	Cl4	Cl5
C1		1.0855	1.8033	1.8033	1.8033
H2	1.0855		2.3693	2.3693	2.3693
Cl3	1.8033	2.3693		2.9772	2.9772
Cl4	1.8033	2.3693	2.9772		2.9772
Cl5	1.8033	2.3693	2.9772	2.9772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.596	H2	C1	Cl4	107.596
H2	C1	Cl5	107.596	Cl3	C1	Cl4	111.280
Cl3	C1	Cl5	111.280	Cl4	C1	Cl5	111.280

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: BLYP/daug-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	0.637
2	H	0.502
3	Cl	-0.379
4	Cl	-0.379
5	Cl	-0.379

	x	y	z	Total
	0.000	0.000	1.059	1.059
CHELPG
AIM
ESP

	x	y	z
x	10.185	0.000	0.000
y	0.000	10.186	-0.000
z	0.000	-0.000	7.087

<r²>	182.206
(<r²>)^1/2	13.498

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)