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	hartrees
Energy at 0K	-1915.839003
Energy at 298.15K
HF Energy	-1914.913396
Nuclear repulsion energy	531.381140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3102	2986
2	A'	1480	1425
3	A'	1372	1321
4	A'	1101	1059
5	A'	851	820
6	A'	776	747
7	A'	561	540
8	A'	392	377
9	A'	319	307
10	A'	252	242
11	A'	160	154
12	A"	3171	3052
13	A"	1281	1233
14	A"	1012	974
15	A"	753	725
16	A"	346	333
17	A"	257	247
18	A"	121	117

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.282	0.000
C2	-1.252	0.370	0.000
Cl3	-2.061	-1.215	0.000
Cl4	0.863	1.976	0.000
Cl5	0.863	-0.549	1.459
Cl6	0.863	-0.549	-1.459
H7	-1.565	0.912	0.896
H8	-1.565	0.912	-0.896

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5322	2.7765	1.7930	1.7787	1.7787	2.1435	2.1435
C2	1.5322		1.7799	2.6559	2.7296	2.7296	1.0923	1.0923
Cl3	2.7765	1.7799		4.3286	3.3354	3.3354	2.3602	2.3602
Cl4	1.7930	2.6559	4.3286		2.9170	2.9170	2.7989	2.7989
Cl5	1.7787	2.7296	3.3354	2.9170		2.9189	2.8895	3.6849
Cl6	1.7787	2.7296	3.3354	2.9170	2.9189		3.6849	2.8895
H7	2.1435	1.0923	2.3602	2.7989	2.8895	3.6849		1.7915
H8	2.1435	1.0923	2.3602	2.7989	3.6849	2.8895	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.713	C1	C2	H7	108.350
C1	C2	H8	108.350	C2	C1	Cl4	105.753
C2	C1	Cl5	110.844	C2	C1	Cl6	110.844
Cl3	C2	H7	108.120	Cl3	C2	H8	108.120
Cl4	C1	Cl5	109.511	Cl4	C1	Cl6	109.511
Cl5	C1	Cl6	110.272	H7	C2	H8	110.173

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

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

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