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	hartrees
Energy at 0K	-1418.696532
Energy at 298.15K	-1418.698091
HF Energy	-1418.696532
Nuclear repulsion energy	259.890252

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	3092	3074	0.01	78.58	0.23	0.38
2	A₁	650	646	5.70	9.55	0.00	0.00
3	A₁	356	354	0.22	10.54	0.24	0.39
4	E	1164	1157	21.51	5.37	0.75	0.86
4	E	1164	1157	21.51	5.37	0.75	0.86
5	E	713	709	199.85	1.71	0.75	0.86
5	E	713	709	199.85	1.71	0.75	0.86
6	E	252	250	0.01	6.25	0.75	0.86
6	E	252	250	0.01	6.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
H2	0.000	0.000	1.560
Cl3	0.000	1.707	-0.084
Cl4	1.478	-0.853	-0.084
Cl5	-1.478	-0.853	-0.084

	C1	H2	Cl3	Cl4	Cl5
C1		1.1023	1.7908	1.7908	1.7908
H2	1.1023		2.3700	2.3700	2.3700
Cl3	1.7908	2.3700		2.9562	2.9562
Cl4	1.7908	2.3700	2.9562		2.9562
Cl5	1.7908	2.3700	2.9562	2.9562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.620	H2	C1	Cl4	107.620
H2	C1	Cl5	107.620	Cl3	C1	Cl4	111.258
Cl3	C1	Cl5	111.258	Cl4	C1	Cl5	111.258

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: PBEPBE/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	-0.187
2	H	0.163
3	Cl	0.008
4	Cl	0.008
5	Cl	0.008

	x	y	z	Total
	0.000	0.000	1.104	1.104
CHELPG
AIM
ESP

<r²>	179.452
(<r²>)^1/2	13.396

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)