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	hartrees
Energy at 0K	-1915.077095
Energy at 298.15K
HF Energy	-1914.668747
Nuclear repulsion energy	510.668857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3002	1.86
2	A'	1510	1455	8.11
3	A'	1347	1298	9.24
4	A'	1107	1066	7.89
5	A'	760	733	38.77
6	A'	677	653	91.13
7	A'	506	487	21.85
8	A'	348	335	1.54
9	A'	288	278	1.39
10	A'	226	218	0.20
11	A'	145	140	0.99
12	A"	3192	3076	0.24
13	A"	1258	1212	11.89
14	A"	980	944	42.29
15	A"	668	644	82.12
16	A"	324	313	0.44
17	A"	230	221	1.38
18	A"	104	100	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.250	0.292	0.000
C2	-1.272	0.394	0.000
Cl3	-2.137	-1.278	0.000
Cl4	0.896	2.067	0.000
Cl5	0.896	-0.569	1.524
Cl6	0.896	-0.569	-1.524
H7	-1.609	0.913	0.903
H8	-1.609	0.913	-0.903

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5253	2.8566	1.8886	1.8657	1.8657	2.1581	2.1581
C2	1.5253		1.8822	2.7376	2.8193	2.8193	1.0946	1.0946
Cl3	2.8566	1.8822		4.5143	3.4672	3.4672	2.4274	2.4274
Cl4	1.8886	2.7376	4.5143		3.0447	3.0447	2.9014	2.9014
Cl5	1.8657	2.8193	3.4672	3.0447		3.0486	2.9759	3.7895
Cl6	1.8657	2.8193	3.4672	3.0447	3.0486		3.7895	2.9759
H7	2.1581	1.0946	2.4274	2.9014	2.9759	3.7895		1.8055
H8	2.1581	1.0946	2.4274	2.9014	3.7895	2.9759	1.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.518	C1	C2	H7	109.831
C1	C2	H8	109.831	C2	C1	Cl4	106.136
C2	C1	Cl5	112.095	C2	C1	Cl6	112.095
Cl3	C2	H7	106.227	Cl3	C2	H8	106.227
Cl4	C1	Cl5	108.381	Cl4	C1	Cl6	108.381
Cl5	C1	Cl6	109.569	H7	C2	H8	111.129

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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