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	hartrees
Energy at 0K	-1916.244278
Energy at 298.15K
HF Energy	-1914.978856
Nuclear repulsion energy	537.342282

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'	3146	2987	5.55	87.92	0.05	0.10
2	A'	1474	1400	6.86	5.29	0.74	0.85
3	A'	1316	1249	8.50	2.04	0.73	0.85
4	A'	1109	1053	10.69	1.35	0.33	0.50
5	A'	855	812	37.16	16.78	0.46	0.63
6	A'	796	756	108.48	1.14	0.02	0.03
7	A'	569	540	14.90	8.07	0.07	0.14
8	A'	393	373	1.48	7.51	0.15	0.26
9	A'	315	299	0.87	2.87	0.75	0.86
10	A'	246	233	0.04	2.52	0.70	0.82
11	A'	156	148	0.51	0.53	0.65	0.79
12	A"	3203	3041	0.21	45.72	0.75	0.86
13	A"	1241	1179	10.31	2.32	0.75	0.86
14	A"	988	938	50.62	1.18	0.75	0.86
15	A"	756	718	74.54	4.21	0.75	0.86
16	A"	339	322	0.68	2.14	0.75	0.86
17	A"	250	238	0.71	1.55	0.75	0.86
18	A"	119	113	0.91	1.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.284	0.000
C2	-1.247	0.367	0.000
Cl3	-2.020	-1.216	0.000
Cl4	0.850	1.960	0.000
Cl5	0.850	-0.540	1.444
Cl6	0.850	-0.540	-1.444
H7	-1.555	0.902	0.889
H8	-1.555	0.902	-0.889

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5156	2.7339	1.7754	1.7623	1.7623	2.1188	2.1188
C2	1.5156		1.7616	2.6336	2.7034	2.7034	1.0820	1.0820
Cl3	2.7339	1.7616		4.2806	3.2834	3.2834	2.3430	2.3430
Cl4	1.7754	2.6336	4.2806		2.8875	2.8875	2.7741	2.7741
Cl5	1.7623	2.7034	3.2834	2.8875		2.8887	2.8589	3.6481
Cl6	1.7623	2.7034	3.2834	2.8875	2.8887		3.6481	2.8589
H7	2.1188	1.0820	2.3430	2.7741	2.8589	3.6481		1.7778
H8	2.1188	1.0820	2.3430	2.7741	3.6481	2.8589	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.859	C1	C2	H7	108.150
C1	C2	H8	108.150	C2	C1	Cl4	106.039
C2	C1	Cl5	110.900	C2	C1	Cl6	110.900
Cl3	C2	H7	108.603	Cl3	C2	H8	108.603
Cl4	C1	Cl5	109.413	Cl4	C1	Cl6	109.413
Cl5	C1	Cl6	110.083	H7	C2	H8	110.481

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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