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	hartrees
Energy at 0K	-1915.018012
Energy at 298.15K
HF Energy	-1914.670981
Nuclear repulsion energy	515.175937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3001	2.22
2	A'	1549	1453	9.25
3	A'	1393	1307	9.99
4	A'	1140	1069	8.39
5	A'	804	754	45.99
6	A'	719	674	99.02
7	A'	532	499	23.02
8	A'	367	344	1.69
9	A'	301	283	1.62
10	A'	236	222	0.23
11	A'	151	142	1.03
12	A"	3277	3074	0.75
13	A"	1300	1219	13.20
14	A"	1014	951	48.24
15	A"	711	667	84.19
16	A"	336	316	0.38
17	A"	240	225	1.59
18	A"	108	101	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.252	0.289	0.000
C2	-1.265	0.389	0.000
Cl3	-2.121	-1.264	0.000
Cl4	0.889	2.046	0.000
Cl5	0.889	-0.564	1.510
Cl6	0.889	-0.564	-1.510
H7	-1.598	0.908	0.895
H8	-1.598	0.908	-0.895

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5196	2.8366	1.8684	1.8479	1.8479	2.1460	2.1460
C2	1.5196		1.8625	2.7171	2.7977	2.7977	1.0873	1.0873
Cl3	2.8366	1.8625		4.4745	3.4401	3.4401	2.4075	2.4075
Cl4	1.8684	2.7171	4.4745		3.0151	3.0151	2.8777	2.8777
Cl5	1.8479	2.7977	3.4401	3.0151		3.0200	2.9546	3.7601
Cl6	1.8479	2.7977	3.4401	3.0151	3.0200		3.7601	2.9546
H7	2.1460	1.0873	2.4075	2.8777	2.9546	3.7601		1.7910
H8	2.1460	1.0873	2.4075	2.8777	3.7601	2.9546	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.623	C1	C2	H7	109.707
C1	C2	H8	109.707	C2	C1	Cl4	106.181
C2	C1	Cl5	111.995	C2	C1	Cl6	111.995
Cl3	C2	H7	106.419	Cl3	C2	H8	106.419
Cl4	C1	Cl5	108.447	Cl4	C1	Cl6	108.447
Cl5	C1	Cl6	109.602	H7	C2	H8	110.897

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)