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	hartrees
Energy at 0K	-1915.875795
Energy at 298.15K
HF Energy	-1914.979114
Nuclear repulsion energy	536.844760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3003	5.95
2	A'	1547	1434	5.83
3	A'	1399	1296	12.79
4	A'	1155	1070	10.32
5	A'	904	838	53.03
6	A'	823	762	103.68
7	A'	591	548	16.78
8	A'	408	378	1.71
9	A'	327	303	0.84
10	A'	256	237	0.04
11	A'	162	150	0.53
12	A"	3310	3067	0.05
13	A"	1306	1210	12.87
14	A"	1041	964	53.00
15	A"	802	743	72.39
16	A"	352	326	0.80
17	A"	259	240	0.96
18	A"	118	110	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.269	0.279	0.000
C2	-1.248	0.367	0.000
Cl3	-2.048	-1.203	0.000
Cl4	0.859	1.951	0.000
Cl5	0.859	-0.541	1.441
Cl6	0.859	-0.541	-1.441
H7	-1.557	0.901	0.882
H8	-1.557	0.901	-0.882

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5192	2.7503	1.7723	1.7602	1.7602	2.1207	2.1207
C2	1.5192		1.7619	2.6355	2.7091	2.7091	1.0761	1.0761
Cl3	2.7503	1.7619		4.2887	3.3113	3.3113	2.3330	2.3330
Cl4	1.7723	2.6355	4.2887		2.8784	2.8784	2.7778	2.7778
Cl5	1.7602	2.7091	3.3113	2.8784		2.8827	2.8682	3.6484
Cl6	1.7602	2.7091	3.3113	2.8784	2.8827		3.6484	2.8682
H7	2.1207	1.0761	2.3330	2.7778	2.8682	3.6484		1.7637
H8	2.1207	1.0761	2.3330	2.7778	3.6484	2.8682	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.701	C1	C2	H7	108.388
C1	C2	H8	108.388	C2	C1	Cl4	106.137
C2	C1	Cl5	111.191	C2	C1	Cl6	111.191
Cl3	C2	H7	108.138	Cl3	C2	H8	108.138
Cl4	C1	Cl5	109.138	Cl4	C1	Cl6	109.138
Cl5	C1	Cl6	109.943	H7	C2	H8	110.069

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

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

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