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	hartrees
Energy at 0K	-1419.413616
Energy at 298.15K	-1419.415225
HF Energy	-1419.413616
Nuclear repulsion energy	261.416114

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	3178	3074	1.41	62.61	0.18	0.31
2	A₁	662	641	3.83	14.34	0.02	0.03
3	A₁	361	349	0.20	8.36	0.12	0.21
4	E	1233	1193	21.52	2.13	0.75	0.86
4	E	1233	1193	21.51	2.13	0.75	0.86
5	E	726	703	162.87	4.14	0.75	0.86
5	E	726	703	162.87	4.14	0.75	0.86
6	E	255	247	0.00	2.74	0.75	0.86
6	E	255	247	0.00	2.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.457
H2	0.000	0.000	1.537
Cl3	0.000	1.697	-0.084
Cl4	1.470	-0.849	-0.084
Cl5	-1.470	-0.849	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0798	1.7813	1.7813	1.7813
H2	1.0798		2.3466	2.3466	2.3466
Cl3	1.7813	2.3466		2.9397	2.9397
Cl4	1.7813	2.3466	2.9397		2.9397
Cl5	1.7813	2.3466	2.9397	2.9397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.668	H2	C1	Cl4	107.668
H2	C1	Cl5	107.668	Cl3	C1	Cl4	111.213
Cl3	C1	Cl5	111.213	Cl4	C1	Cl5	111.213

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: B3LYP/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	0.186
2	H	0.229
3	Cl	-0.138
4	Cl	-0.138
5	Cl	-0.138

	x	y	z	Total
	0.000	0.000	1.085	1.085
CHELPG
AIM
ESP

	x	y	z
x	9.538	0.000	0.000
y	0.000	9.539	-0.000
z	0.000	-0.000	6.718

<r²>	178.222
(<r²>)^1/2	13.350

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)