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	hartrees
Energy at 0K	-1915.639256
Energy at 298.15K
HF Energy	-1914.798715
Nuclear repulsion energy	532.990334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2984	4.18
2	A'	1526	1432	7.11
3	A'	1395	1309	10.38
4	A'	1130	1060	10.63
5	A'	887	833	47.75
6	A'	806	757	100.94
7	A'	578	542	18.77
8	A'	402	377	1.92
9	A'	324	304	1.16
10	A'	254	238	0.11
11	A'	160	150	0.64
12	A"	3248	3049	0.01
13	A"	1292	1213	9.17
14	A"	1034	971	57.64
15	A"	781	733	76.67
16	A"	350	328	0.62
17	A"	258	243	1.15
18	A"	119	111	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.281	0.000
C2	-1.254	0.369	0.000
Cl3	-2.060	-1.211	0.000
Cl4	0.863	1.967	0.000
Cl5	0.863	-0.546	1.453
Cl6	0.863	-0.546	-1.453
H7	-1.564	0.912	0.892
H8	-1.564	0.912	-0.892

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5309	2.7699	1.7853	1.7729	1.7729	2.1385	2.1385
C2	1.5309		1.7728	2.6529	2.7261	2.7261	1.0893	1.0893
Cl3	2.7699	1.7728		4.3173	3.3310	3.3310	2.3552	2.3552
Cl4	1.7853	2.6529	4.3173		2.9028	2.9028	2.7929	2.7929
Cl5	1.7729	2.7261	3.3310	2.9028		2.9060	2.8872	3.6766
Cl6	1.7729	2.7261	3.3310	2.9028	2.9060		3.6766	2.8872
H7	2.1385	1.0893	2.3552	2.7929	2.8872	3.6766		1.7831
H8	2.1385	1.0893	2.3552	2.7929	3.6766	2.8872	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.753	C1	C2	H7	108.221
C1	C2	H8	108.221	C2	C1	Cl4	105.999
C2	C1	Cl5	110.997	C2	C1	Cl6	110.997
Cl3	C2	H7	108.377	Cl3	C2	H8	108.377
Cl4	C1	Cl5	109.334	Cl4	C1	Cl6	109.334
Cl5	C1	Cl6	110.080	H7	C2	H8	109.860

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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