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	hartrees
Energy at 0K	-1916.749927
Energy at 298.15K
HF Energy	-1914.950825
Nuclear repulsion energy	537.446450

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'	3130	3130	5.19	88.82	0.05	0.09
2	A'	1466	1466	6.61	5.51	0.71	0.83
3	A'	1313	1313	9.27	1.22	0.74	0.85
4	A'	1099	1099	10.35	1.52	0.42	0.59
5	A'	852	852	35.79	17.01	0.48	0.65
6	A'	794	794	109.87	1.05	0.02	0.04
7	A'	568	568	14.77	7.99	0.08	0.14
8	A'	392	392	1.43	7.36	0.16	0.27
9	A'	314	314	0.81	2.62	0.75	0.86
10	A'	245	245	0.03	2.24	0.69	0.81
11	A'	156	156	0.48	0.47	0.64	0.78
12	A"	3205	3205	0.24	45.28	0.75	0.86
13	A"	1239	1239	9.34	2.66	0.75	0.86
14	A"	982	982	49.07	0.79	0.75	0.86
15	A"	754	754	75.09	5.00	0.75	0.86
16	A"	339	339	0.70	1.83	0.75	0.86
17	A"	249	249	0.68	1.35	0.75	0.86
18	A"	116	116	0.91	1.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.283	0.000
C2	-1.251	0.367	0.000
Cl3	-2.022	-1.214	0.000
Cl4	0.851	1.958	0.000
Cl5	0.851	-0.540	1.443
Cl6	0.851	-0.540	-1.443
H7	-1.559	0.902	0.890
H8	-1.559	0.902	-0.890

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5213	2.7367	1.7733	1.7604	1.7604	2.1245	2.1245
C2	1.5213		1.7592	2.6361	2.7054	2.7054	1.0837	1.0837
Cl3	2.7367	1.7592		4.2800	3.2848	3.2848	2.3426	2.3426
Cl4	1.7733	2.6361	4.2800		2.8849	2.8849	2.7772	2.7772
Cl5	1.7604	2.7054	3.2848	2.8849		2.8860	2.8618	3.6509
Cl6	1.7604	2.7054	3.2848	2.8849	2.8860		3.6509	2.8618
H7	2.1245	1.0837	2.3426	2.7772	2.8618	3.6509		1.7806
H8	2.1245	1.0837	2.3426	2.7772	3.6509	2.8618	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.872	C1	C2	H7	108.112
C1	C2	H8	108.112	C2	C1	Cl4	106.034
C2	C1	Cl5	110.848	C2	C1	Cl6	110.848
Cl3	C2	H7	108.637	Cl3	C2	H8	108.637
Cl4	C1	Cl5	109.453	Cl4	C1	Cl6	109.453
Cl5	C1	Cl6	110.111	H7	C2	H8	110.473

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

using model chemistry: MP2=FULL/Def2TZVPP

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=FULL/Def2TZVPP

States and conformations

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