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	hartrees
Energy at 0K	-1412.345591
Energy at 298.15K	-1412.347109
HF Energy	-1412.345591
Nuclear repulsion energy	254.753470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	?_a	733	703	152.03	7.88	0.75	0.86
2	?_a	733	703	152.07	7.88	0.75	0.86
3	?_a	617	591	9.78	15.59	0.00	0.00
4	A₁	3252	3118	2.90	72.66	0.25	0.41
4	A₁	334	320	1.29	12.24	0.30	0.47
5	E	1239	1188	24.36	8.97	0.75	0.86
5	E	1239	1188	24.28	8.96	0.75	0.86
6	E	243	233	0.66	7.95	0.75	0.86
6	E	243	233	0.66	7.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.497
H2	0.000	0.000	1.578
Cl3	0.000	1.739	-0.089
Cl4	1.506	-0.869	-0.089
Cl5	-1.506	-0.869	-0.089

	C1	H2	Cl3	Cl4	Cl5
C1		1.0812	1.8348	1.8348	1.8348
H2	1.0812		2.4089	2.4089	2.4089
Cl3	1.8348	2.4089		3.0113	3.0113
Cl4	1.8348	2.4089	3.0113		3.0113
Cl5	1.8348	2.4089	3.0113	3.0113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.632	H2	C1	Cl4	108.632
H2	C1	Cl5	108.632	Cl3	C1	Cl4	110.297
Cl3	C1	Cl5	110.297	Cl4	C1	Cl5	110.297

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: M06-2X/3-21G

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	-0.771
2	H	0.364
3	Cl	0.136
4	Cl	0.136
5	Cl	0.136

	x	y	z	Total
	0.000	0.000	1.611	1.611
CHELPG
AIM
ESP

	x	y	z
x	6.508	0.000	0.000
y	0.000	6.510	-0.001
z	0.000	-0.001	2.902

<r²>	186.606
(<r²>)^1/2	13.660

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)