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	hartrees
Energy at 0K	-1419.290895
Energy at 298.15K	-1419.292369
HF Energy	-1419.290895
Nuclear repulsion energy	257.171487

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	3101	3095	1.13	68.91	0.20	0.33
2	A₁	629	628	3.52	15.97	0.02	0.03
3	A₁	343	343	0.13	10.16	0.13	0.23
4	E	1158	1155	20.38	2.05	0.75	0.86
4	E	1158	1155	20.38	2.04	0.75	0.86
5	E	667	665	184.71	3.97	0.75	0.86
5	E	667	665	184.70	3.97	0.75	0.86
6	E	243	243	0.09	3.59	0.75	0.86
6	E	243	243	0.09	3.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.465
H2	0.000	0.000	1.562
Cl3	0.000	1.725	-0.085
Cl4	1.494	-0.863	-0.085
Cl5	-1.494	-0.863	-0.085

	C1	H2	Cl3	Cl4	Cl5
C1		1.0966	1.8108	1.8108	1.8108
H2	1.0966		2.3850	2.3850	2.3850
Cl3	1.8108	2.3850		2.9881	2.9881
Cl4	1.8108	2.3850	2.9881		2.9881
Cl5	1.8108	2.3850	2.9881	2.9881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.691	H2	C1	Cl4	107.691
H2	C1	Cl5	107.691	Cl3	C1	Cl4	111.191
Cl3	C1	Cl5	111.191	Cl4	C1	Cl5	111.191

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: BLYP/aug-cc-pVDZ

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	-0.346
2	H	0.006
3	Cl	0.113
4	Cl	0.113
5	Cl	0.113

	x	y	z	Total
	0.000	0.000	1.089	1.089
CHELPG
AIM
ESP

	x	y	z
x	9.893	0.000	0.000
y	0.000	9.894	-0.000
z	0.000	-0.000	6.726

<r²>	183.446
(<r²>)^1/2	13.544

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)