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	hartrees
Energy at 0K	-1915.797946
Energy at 298.15K
HF Energy	-1914.908182
Nuclear repulsion energy	530.869284

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'	3119	2992	5.61	91.87	0.04	0.08
2	A'	1445	1386	6.87	4.83	0.73	0.84
3	A'	1299	1246	8.24	2.83	0.51	0.68
4	A'	1103	1057	9.11	1.87	0.40	0.57
5	A'	830	796	34.69	21.84	0.43	0.60
6	A'	772	740	112.83	1.89	0.07	0.13
7	A'	559	536	15.44	12.32	0.04	0.08
8	A'	386	370	1.55	9.31	0.11	0.20
9	A'	313	301	0.71	2.55	0.72	0.84
10	A'	245	235	0.02	1.91	0.58	0.74
11	A'	154	148	0.52	0.51	0.55	0.71
12	A"	3202	3071	0.39	42.05	0.75	0.86
13	A"	1215	1165	10.15	1.80	0.75	0.86
14	A"	972	932	46.09	1.27	0.75	0.86
15	A"	734	704	75.68	5.43	0.75	0.86
16	A"	338	324	0.93	1.52	0.75	0.86
17	A"	249	239	0.63	1.14	0.75	0.86
18	A"	111	107	0.96	0.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.261	0.288	0.000
C2	-1.267	0.373	0.000
Cl3	-2.043	-1.235	0.000
Cl4	0.862	1.983	0.000
Cl5	0.862	-0.544	1.460
Cl6	0.862	-0.544	-1.460
H7	-1.586	0.909	0.904
H8	-1.586	0.909	-0.904

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5308	2.7622	1.7986	1.7845	1.7845	2.1482	2.1482
C2	1.5308		1.7856	2.6695	2.7397	2.7397	1.0982	1.0982
Cl3	2.7622	1.7856		4.3357	3.3238	3.3238	2.3712	2.3712
Cl4	1.7986	2.6695	4.3357		2.9188	2.9188	2.8223	2.8223
Cl5	1.7845	2.7397	3.3238	2.9188		2.9196	2.9002	3.7002
Cl6	1.7845	2.7397	3.3238	2.9188	2.9196		3.7002	2.9002
H7	2.1482	1.0982	2.3712	2.8223	2.9002	3.7002		1.8086
H8	2.1482	1.0982	2.3712	2.8223	3.7002	2.9002	1.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.565	C1	C2	H7	108.472
C1	C2	H8	108.472	C2	C1	Cl4	106.328
C2	C1	Cl5	111.226	C2	C1	Cl6	111.226
Cl3	C2	H7	108.245	Cl3	C2	H8	108.245
Cl4	C1	Cl5	109.093	Cl4	C1	Cl6	109.093
Cl5	C1	Cl6	109.780	H7	C2	H8	110.861

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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