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	hartrees
Energy at 0K	-1915.673670
Energy at 298.15K
HF Energy	-1914.804465
Nuclear repulsion energy	534.254382

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'	3180	2987	5.31	81.96	0.06	0.11
2	A'	1494	1403	6.16	6.76	0.75	0.86
3	A'	1381	1297	12.07	3.06	0.52	0.68
4	A'	1112	1045	10.40	2.57	0.34	0.51
5	A'	876	823	43.61	18.17	0.47	0.64
6	A'	800	751	107.59	1.61	0.07	0.12
7	A'	573	539	16.12	10.16	0.07	0.13
8	A'	400	375	1.47	8.75	0.16	0.28
9	A'	324	305	0.90	3.68	0.72	0.84
10	A'	253	237	0.05	2.45	0.62	0.77
11	A'	157	147	0.51	0.56	0.61	0.76
12	A"	3260	3062	0.12	47.39	0.75	0.86
13	A"	1270	1193	9.88	4.27	0.75	0.86
14	A"	1020	958	55.74	1.26	0.75	0.86
15	A"	769	722	78.06	5.34	0.75	0.86
16	A"	352	331	0.84	2.27	0.75	0.86
17	A"	254	239	0.85	1.53	0.75	0.86
18	A"	111	104	1.03	1.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.280	0.000
C2	-1.251	0.368	0.000
Cl3	-2.056	-1.205	0.000
Cl4	0.861	1.962	0.000
Cl5	0.861	-0.546	1.449
Cl6	0.861	-0.546	-1.449
H7	-1.560	0.910	0.889
H8	-1.560	0.910	-0.889

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5274	2.7637	1.7812	1.7688	1.7688	2.1328	2.1328
C2	1.5274		1.7670	2.6465	2.7197	2.7197	1.0860	1.0860
Cl3	2.7637	1.7670		4.3063	3.3238	3.3238	2.3474	2.3474
Cl4	1.7812	2.6465	4.3063		2.8968	2.8968	2.7854	2.7854
Cl5	1.7688	2.7197	3.3238	2.8968		2.8986	2.8803	3.6672
Cl6	1.7688	2.7197	3.3238	2.8968	2.8986		3.6672	2.8803
H7	2.1328	1.0860	2.3474	2.7854	2.8803	3.6672		1.7776
H8	2.1328	1.0860	2.3474	2.7854	3.6672	2.8803	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.850	C1	C2	H7	108.204
C1	C2	H8	108.204	C2	C1	Cl4	105.982
C2	C1	Cl5	110.986	C2	C1	Cl6	110.986
Cl3	C2	H7	108.353	Cl3	C2	H8	108.353
Cl4	C1	Cl5	109.373	Cl4	C1	Cl6	109.373
Cl5	C1	Cl6	110.043	H7	C2	H8	109.843

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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