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	hartrees
Energy at 0K	-1915.648233
Energy at 298.15K
HF Energy	-1914.798575
Nuclear repulsion energy	532.272827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	2993	5.05
2	A'	1515	1443	6.54
3	A'	1382	1316	10.98
4	A'	1119	1065	10.46
5	A'	877	835	48.48
6	A'	796	758	101.50
7	A'	572	545	18.34
8	A'	398	379	1.87
9	A'	322	306	1.09
10	A'	252	240	0.10
11	A'	159	151	0.64
12	A"	3211	3058	0.04
13	A"	1282	1221	9.17
14	A"	1027	978	56.71
15	A"	773	736	78.52
16	A"	347	331	0.57
17	A"	257	244	1.08
18	A"	118	112	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.282	0.000
C2	-1.256	0.369	0.000
Cl3	-2.062	-1.213	0.000
Cl4	0.864	1.970	0.000
Cl5	0.864	-0.547	1.455
Cl6	0.864	-0.547	-1.455
H7	-1.568	0.913	0.893
H8	-1.568	0.913	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5323	2.7734	1.7879	1.7753	1.7753	2.1425	2.1425
C2	1.5323		1.7753	2.6566	2.7293	2.7293	1.0920	1.0920
Cl3	2.7734	1.7753		4.3234	3.3351	3.3351	2.3588	2.3588
Cl4	1.7879	2.6566	4.3234		2.9067	2.9067	2.7981	2.7981
Cl5	1.7753	2.7293	3.3351	2.9067		2.9098	2.8919	3.6827
Cl6	1.7753	2.7293	3.3351	2.9067	2.9098		3.6827	2.8919
H7	2.1425	1.0920	2.3588	2.7981	2.8919	3.6827		1.7869
H8	2.1425	1.0920	2.3588	2.7981	3.6827	2.8919	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.760	C1	C2	H7	108.284
C1	C2	H8	108.284	C2	C1	Cl4	106.026
C2	C1	Cl5	110.996	C2	C1	Cl6	110.996
Cl3	C2	H7	108.334	Cl3	C2	H8	108.334
Cl4	C1	Cl5	109.324	Cl4	C1	Cl6	109.324
Cl5	C1	Cl6	110.075	H7	C2	H8	109.809

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)

using model chemistry: QCISD/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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All results from a given calculation for CH2ClCCl3 (1,1,1,2-tetrachloroethane)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)