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	hartrees
Energy at 0K	-1419.089777
Energy at 298.15K	-1419.091368
HF Energy	-1419.089777
Nuclear repulsion energy	255.678067

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	749	749	157.38	7.31	0.75	0.86
2	?_a	749	749	157.48	7.31	0.75	0.86
3	?_a	641	641	9.83	14.50	0.00	0.00
4	A₁	3275	3275	0.87	80.42	0.27	0.42
4	A₁	354	354	1.20	12.52	0.28	0.44
5	E	1268	1268	23.75	10.43	0.75	0.86
5	E	1268	1268	23.71	10.43	0.75	0.86
6	E	253	253	0.59	7.71	0.75	0.86
6	E	253	253	0.59	7.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.476
H2	0.000	0.000	1.557
Cl3	0.000	1.735	-0.087
Cl4	1.503	-0.868	-0.087
Cl5	-1.503	-0.868	-0.087

	C1	H2	Cl3	Cl4	Cl5
C1		1.0813	1.8239	1.8239	1.8239
H2	1.0813		2.3900	2.3900	2.3900
Cl3	1.8239	2.3900		3.0052	3.0052
Cl4	1.8239	2.3900	3.0052		3.0052
Cl5	1.8239	2.3900	3.0052	3.0052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.957	H2	C1	Cl4	107.957
H2	C1	Cl5	107.957	Cl3	C1	Cl4	110.942
Cl3	C1	Cl5	110.942	Cl4	C1	Cl5	110.942

All results from a given calculation for CHCl₃ (Chloroform)

using model chemistry: M06-2X/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	-0.679
2	H	0.313
3	Cl	0.122
4	Cl	0.122
5	Cl	0.122

	x	y	z	Total
	0.000	0.000	1.602	1.602
CHELPG
AIM
ESP

	x	y	z
x	6.652	0.000	0.000
y	0.000	6.652	-0.001
z	0.000	-0.001	3.116

<r²>	185.571
(<r²>)^1/2	13.622

All results from a given calculation for CHCl3 (Chloroform)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CHCl₃ (Chloroform)