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	hartrees
Energy at 0K	-1419.299771
Energy at 298.15K	-1419.301315
HF Energy	-1419.299771
Nuclear repulsion energy	259.463489

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	3135	3135	0.43	77.04	0.29	0.45
2	A₁	647	647	7.30	10.33	0.00	0.00
3	A₁	359	359	0.31	11.87	0.22	0.37
4	E	1222	1222	27.83	7.86	0.75	0.86
4	E	1222	1222	27.84	7.86	0.75	0.86
5	E	684	684	216.49	2.31	0.75	0.86
5	E	684	684	216.50	2.32	0.75	0.86
6	E	256	256	0.05	5.98	0.75	0.86
6	E	256	256	0.05	5.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.453
H2	0.000	0.000	1.543
Cl3	0.000	1.711	-0.084
Cl4	1.482	-0.855	-0.084
Cl5	-1.482	-0.855	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.0901	1.7931	1.7931	1.7931
H2	1.0901		2.3608	2.3608	2.3608
Cl3	1.7931	2.3608		2.9635	2.9635
Cl4	1.7931	2.3608	2.9635		2.9635
Cl5	1.7931	2.3608	2.9635	2.9635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.412	H2	C1	Cl4	107.412
H2	C1	Cl5	107.412	Cl3	C1	Cl4	111.450
Cl3	C1	Cl5	111.450	Cl4	C1	Cl5	111.450

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: B97D3/6-31G**

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	-0.373
2	H	0.248
3	Cl	0.042
4	Cl	0.042
5	Cl	0.042

	x	y	z	Total
	0.000	0.000	1.254	1.254
CHELPG
AIM
ESP

<r²>	180.187
(<r²>)^1/2	13.423

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)