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	hartrees
Energy at 0K	-1419.143177
Energy at 298.15K	-1419.144777
HF Energy	-1419.143177
Nuclear repulsion energy	255.197287

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	3280	3280	1.42	79.66	0.16	0.28
2	A₁	644	644	12.87	15.66	0.00	0.00
3	A₁	355	355	0.93	13.08	0.29	0.45
4	E	1258	1258	23.54	6.51	0.75	0.86
4	E	1258	1258	23.63	6.50	0.75	0.86
5	E	755	755	166.15	6.83	0.75	0.86
5	E	755	755	166.35	6.85	0.75	0.86
6	E	257	257	0.45	8.18	0.75	0.86
6	E	256	256	0.45	8.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.477
H2	0.000	0.000	1.559
Cl3	0.000	1.738	-0.087
Cl4	1.505	-0.869	-0.087
Cl5	-1.505	-0.869	-0.087

	C1	H2	Cl3	Cl4	Cl5
C1		1.0821	1.8274	1.8274	1.8274
H2	1.0821		2.3939	2.3939	2.3939
Cl3	1.8274	2.3939		3.0109	3.0109
Cl4	1.8274	2.3939	3.0109		3.0109
Cl5	1.8274	2.3939	3.0109	3.0109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.968	H2	C1	Cl4	107.968
H2	C1	Cl5	107.968	Cl3	C1	Cl4	110.932
Cl3	C1	Cl5	110.932	Cl4	C1	Cl5	110.932

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: wB97X-D/SDD

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	-0.592
2	H	0.369
3	Cl	0.074
4	Cl	0.074
5	Cl	0.074

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

	x	y	z
x	6.153	0.000	0.000
y	0.000	6.147	0.001
z	0.000	0.001	2.783

<r²>	185.937
(<r²>)^1/2	13.636

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)