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	hartrees
Energy at 0K	-1915.596209
Energy at 298.15K
HF Energy	-1914.892982
Nuclear repulsion energy	532.735378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	2979	5.46
2	A'	1517	1399	5.20
3	A'	1378	1270	13.63
4	A'	1152	1062	12.55
5	A'	893	823	56.47
6	A'	814	750	113.92
7	A'	584	538	19.33
8	A'	405	373	1.80
9	A'	327	301	0.98
10	A'	255	235	0.07
11	A'	161	149	0.62
12	A"	3308	3049	0.00
13	A"	1284	1183	12.67
14	A"	1027	947	59.08
15	A"	791	729	83.54
16	A"	353	325	0.71
17	A"	260	240	0.97
18	A"	119	110	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.269	0.282	0.000
C2	-1.258	0.367	0.000
Cl3	-2.059	-1.214	0.000
Cl4	0.864	1.967	0.000
Cl5	0.864	-0.545	1.453
Cl6	0.864	-0.545	-1.453
H7	-1.572	0.909	0.894
H8	-1.572	0.909	-0.894

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5293	2.7673	1.7876	1.7747	1.7747	2.1397	2.1397
C2	1.5293		1.7729	2.6580	2.7291	2.7291	1.0909	1.0909
Cl3	2.7673	1.7729		4.3209	3.3326	3.3326	2.3547	2.3547
Cl4	1.7876	2.6580	4.3209		2.9022	2.9022	2.8023	2.8023
Cl5	1.7747	2.7291	3.3326	2.9022		2.9063	2.8912	3.6816
Cl6	1.7747	2.7291	3.3326	2.9022	2.9063		3.6816	2.8912
H7	2.1397	1.0909	2.3547	2.8023	2.8912	3.6816		1.7873
H8	2.1397	1.0909	2.3547	2.8023	3.6816	2.8912	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.658	C1	C2	H7	108.334
C1	C2	H8	108.334	C2	C1	Cl4	106.261
C2	C1	Cl5	111.164	C2	C1	Cl6	111.164
Cl3	C2	H7	108.245	Cl3	C2	H8	108.245
Cl4	C1	Cl5	109.111	Cl4	C1	Cl6	109.111
Cl5	C1	Cl6	109.928	H7	C2	H8	110.003

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

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

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