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	hartrees
Energy at 0K	-1915.482910
Energy at 298.15K
HF Energy	-1914.798880
Nuclear repulsion energy	534.849457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3008	5.05
2	A'	1566	1450	6.62
3	A'	1433	1326	13.15
4	A'	1156	1070	10.93
5	A'	915	847	56.44
6	A'	828	767	108.13
7	A'	593	549	19.65
8	A'	413	383	2.03
9	A'	332	308	1.14
10	A'	261	241	0.11
11	A'	164	152	0.68
12	A"	3320	3074	0.03
13	A"	1329	1230	10.67
14	A"	1061	982	62.63
15	A"	809	749	80.06
16	A"	358	331	0.58
17	A"	265	246	1.22
18	A"	121	112	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.279	0.000
C2	-1.251	0.367	0.000
Cl3	-2.059	-1.204	0.000
Cl4	0.862	1.957	0.000
Cl5	0.862	-0.544	1.447
Cl6	0.862	-0.544	-1.447
H7	-1.561	0.908	0.886
H8	-1.561	0.908	-0.886

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5272	2.7641	1.7778	1.7656	1.7656	2.1321	2.1321
C2	1.5272		1.7662	2.6443	2.7181	2.7181	1.0831	1.0831
Cl3	2.7641	1.7662		4.3035	3.3256	3.3256	2.3430	2.3430
Cl4	1.7778	2.6443	4.3035		2.8894	2.8894	2.7851	2.7851
Cl5	1.7656	2.7181	3.3256	2.8894		2.8936	2.8797	3.6633
Cl6	1.7656	2.7181	3.3256	2.8894	2.8936		3.6633	2.8797
H7	2.1321	1.0831	2.3430	2.7851	2.8797	3.6633		1.7720
H8	2.1321	1.0831	2.3430	2.7851	3.6633	2.8797	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.930	C1	C2	H7	108.325
C1	C2	H8	108.325	C2	C1	Cl4	106.030
C2	C1	Cl5	111.064	C2	C1	Cl6	111.064
Cl3	C2	H7	108.226	Cl3	C2	H8	108.226
Cl4	C1	Cl5	109.261	Cl4	C1	Cl6	109.261
Cl5	C1	Cl6	110.057	H7	C2	H8	109.769

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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