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	hartrees
Energy at 0K	-1915.641430
Energy at 298.15K
HF Energy	-1914.798638
Nuclear repulsion energy	534.665091

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'	3167	2984	4.64	76.65	0.09	0.16
2	A'	1520	1432	7.30	10.24	0.75	0.86
3	A'	1386	1305	9.94	2.74	0.70	0.83
4	A'	1118	1054	11.86	2.10	0.25	0.40
5	A'	880	829	44.62	16.69	0.48	0.65
6	A'	806	759	111.68	1.03	0.05	0.10
7	A'	576	543	18.72	7.51	0.11	0.19
8	A'	402	379	1.80	8.30	0.18	0.31
9	A'	325	306	1.11	3.84	0.75	0.86
10	A'	254	240	0.09	2.95	0.71	0.83
11	A'	160	151	0.65	0.56	0.68	0.81
12	A"	3243	3056	0.12	53.47	0.75	0.86
13	A"	1288	1213	8.96	6.74	0.75	0.86
14	A"	1031	971	59.80	1.77	0.75	0.86
15	A"	775	730	84.91	5.23	0.75	0.86
16	A"	351	331	0.68	2.42	0.75	0.86
17	A"	260	245	1.01	1.85	0.75	0.86
18	A"	121	114	1.25	1.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.282	0.000
C2	-1.251	0.367	0.000
Cl3	-2.046	-1.211	0.000
Cl4	0.858	1.964	0.000
Cl5	0.858	-0.545	1.449
Cl6	0.858	-0.545	-1.449
H7	-1.561	0.911	0.892
H8	-1.561	0.911	-0.892

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5270	2.7583	1.7808	1.7678	1.7678	2.1351	2.1351
C2	1.5270		1.7664	2.6459	2.7167	2.7167	1.0901	1.0901
Cl3	2.7583	1.7664		4.3027	3.3135	3.3135	2.3520	2.3520
Cl4	1.7808	2.6459	4.3027		2.8971	2.8971	2.7857	2.7857
Cl5	1.7678	2.7167	3.3135	2.8971		2.8984	2.8782	3.6682
Cl6	1.7678	2.7167	3.3135	2.8971	2.8984		3.6682	2.8782
H7	2.1351	1.0901	2.3520	2.7857	2.8782	3.6682		1.7843
H8	2.1351	1.0901	2.3520	2.7857	3.6682	2.8782	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.563	C1	C2	H7	108.179
C1	C2	H8	108.179	C2	C1	Cl4	105.985
C2	C1	Cl5	110.870	C2	C1	Cl6	110.870
Cl3	C2	H7	108.519	Cl3	C2	H8	108.519
Cl4	C1	Cl5	109.449	Cl4	C1	Cl6	109.449
Cl5	C1	Cl6	110.123	H7	C2	H8	109.850

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

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

States and conformations

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