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	hartrees
Energy at 0K	-1915.860581
Energy at 298.15K
HF Energy	-1914.827371
Nuclear repulsion energy	535.717987

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'	3150	2975	4.42	70.62	0.07	0.13
2	A'	1477	1395	6.09	7.57	0.75	0.86
3	A'	1321	1247	8.94	1.64	0.62	0.77
4	A'	1102	1040	11.06	1.47	0.32	0.49
5	A'	859	812	43.11	15.68	0.46	0.63
6	A'	800	755	108.92	1.41	0.05	0.09
7	A'	570	538	15.97	8.65	0.06	0.11
8	A'	393	372	1.59	7.33	0.14	0.25
9	A'	316	298	0.96	2.56	0.75	0.85
10	A'	246	233	0.04	2.04	0.68	0.81
11	A'	156	148	0.53	0.48	0.66	0.80
12	A"	3231	3052	1.01	45.21	0.75	0.86
13	A"	1239	1170	10.79	3.67	0.75	0.86
14	A"	992	937	53.30	0.97	0.75	0.86
15	A"	765	722	76.78	4.38	0.75	0.86
16	A"	341	322	0.79	1.54	0.75	0.86
17	A"	250	236	0.89	1.34	0.75	0.86
18	A"	118	111	1.09	0.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	0.286	0.000
C2	-1.258	0.369	0.000
Cl3	-2.025	-1.223	0.000
Cl4	0.853	1.965	0.000
Cl5	0.853	-0.540	1.447
Cl6	0.853	-0.540	-1.447
H7	-1.572	0.905	0.895
H8	-1.572	0.905	-0.895

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5275	2.7441	1.7789	1.7658	1.7658	2.1369	2.1369
C2	1.5275		1.7667	2.6474	2.7162	2.7162	1.0892	1.0892
Cl3	2.7441	1.7667		4.2954	3.2936	3.2936	2.3523	2.3523
Cl4	1.7789	2.6474	4.2954		2.8924	2.8924	2.7944	2.7944
Cl5	1.7658	2.7162	3.2936	2.8924		2.8934	2.8769	3.6678
Cl6	1.7658	2.7162	3.2936	2.8924	2.8934		3.6678	2.8769
H7	2.1369	1.0892	2.3523	2.7944	2.8769	3.6678		1.7891
H8	2.1369	1.0892	2.3523	2.7944	3.6678	2.8769	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.617	C1	C2	H7	108.335
C1	C2	H8	108.335	C2	C1	Cl4	106.141
C2	C1	Cl5	110.920	C2	C1	Cl6	110.920
Cl3	C2	H7	108.569	Cl3	C2	H8	108.569
Cl4	C1	Cl5	109.371	Cl4	C1	Cl6	109.371
Cl5	C1	Cl6	110.027	H7	C2	H8	110.420

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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