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	hartrees
Energy at 0K	-135.960875
Energy at 298.15K
HF Energy	-135.626612
Nuclear repulsion energy	156.782162

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'	3122	3007	7.07	114.17	0.06	0.11
2	A'	1490	1435	5.51	7.59	0.74	0.85
3	A'	1362	1312	5.72	6.95	0.52	0.68
4	A'	1089	1049	12.02	11.13	0.24	0.39
5	A'	780	751	35.13	31.80	0.43	0.60
6	A'	697	671	80.87	2.18	0.13	0.23
7	A'	509	490	23.68	11.76	0.16	0.28
8	A'	351	339	1.51	15.05	0.21	0.34
9	A'	293	282	1.51	8.46	0.74	0.85
10	A'	230	221	0.20	6.86	0.68	0.81
11	A'	147	141	0.92	1.10	0.69	0.82
12	A"	3215	3097	0.72	56.07	0.75	0.86
13	A"	1254	1207	13.73	7.21	0.75	0.86
14	A"	1001	964	38.80	2.78	0.75	0.86
15	A"	683	658	72.82	9.24	0.75	0.86
16	A"	328	316	1.08	5.41	0.75	0.86
17	A"	235	227	1.35	3.95	0.75	0.86
18	A"	108	104	1.92	2.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.256	0.293	0.000
C2	-1.285	0.390	0.000
Cl3	-2.132	-1.280	0.000
Cl4	0.895	2.065	0.000
Cl5	0.895	-0.567	1.522
Cl6	0.895	-0.567	-1.522
H7	-1.620	0.911	0.907
H8	-1.620	0.911	-0.907

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5444	2.8600	1.8838	1.8617	1.8617	2.1735	2.1735
C2	1.5444		1.8727	2.7496	2.8263	2.8263	1.0981	1.0981
Cl3	2.8600	1.8727		4.5118	3.4630	3.4630	2.4258	2.4258
Cl4	1.8838	2.7496	4.5118		3.0407	3.0407	2.9124	2.9124
Cl5	1.8617	2.8263	3.4630	3.0407		3.0449	2.9813	3.7964
Cl6	1.8617	2.8263	3.4630	3.0407	3.0449		3.7964	2.9813
H7	2.1735	1.0981	2.4258	2.9124	2.9813	3.7964		1.8142
H8	2.1735	1.0981	2.4258	2.9124	3.7964	2.9813	1.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.296	C1	C2	H7	109.512
C1	C2	H8	109.512	C2	C1	Cl4	106.229
C2	C1	Cl5	111.814	C2	C1	Cl6	111.814
Cl3	C2	H7	106.552	Cl3	C2	H8	106.552
Cl4	C1	Cl5	108.550	Cl4	C1	Cl6	108.550
Cl5	C1	Cl6	109.727	H7	C2	H8	111.387

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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