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	hartrees
Energy at 0K	-1915.657642
Energy at 298.15K
HF Energy	-1914.801819
Nuclear repulsion energy	534.791940

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'	3190	2981	5.17	78.05	0.08	0.15
2	A'	1517	1417	5.94	9.95	0.75	0.86
3	A'	1381	1291	12.07	2.44	0.69	0.82
4	A'	1120	1047	11.96	2.08	0.26	0.41
5	A'	880	823	44.73	16.59	0.48	0.65
6	A'	806	753	110.65	1.05	0.05	0.10
7	A'	576	539	18.27	7.45	0.11	0.19
8	A'	402	376	1.76	8.32	0.18	0.31
9	A'	325	304	1.09	3.82	0.75	0.86
10	A'	254	238	0.09	2.95	0.71	0.83
11	A'	160	149	0.63	0.56	0.68	0.81
12	A"	3271	3057	0.00	52.79	0.75	0.86
13	A"	1285	1201	9.01	6.38	0.75	0.86
14	A"	1027	959	58.56	1.74	0.75	0.86
15	A"	775	724	84.54	5.12	0.75	0.86
16	A"	351	328	0.57	2.42	0.75	0.86
17	A"	259	242	0.93	1.84	0.75	0.86
18	A"	121	113	1.17	1.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.281	0.000
C2	-1.248	0.366	0.000
Cl3	-2.048	-1.208	0.000
Cl4	0.858	1.964	0.000
Cl5	0.858	-0.546	1.449
Cl6	0.858	-0.546	-1.449
H7	-1.555	0.909	0.889
H8	-1.555	0.909	-0.889

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5257	2.7591	1.7808	1.7676	1.7676	2.1289	2.1289
C2	1.5257		1.7652	2.6437	2.7144	2.7144	1.0853	1.0853
Cl3	2.7591	1.7652		4.3015	3.3138	3.3138	2.3477	2.3477
Cl4	1.7808	2.6437	4.3015		2.8982	2.8982	2.7795	2.7795
Cl5	1.7676	2.7144	3.3138	2.8982		2.8986	2.8727	3.6611
Cl6	1.7676	2.7144	3.3138	2.8982	2.8986		3.6611	2.8727
H7	2.1289	1.0853	2.3477	2.7795	2.8727	3.6611		1.7770
H8	2.1289	1.0853	2.3477	2.7795	3.6611	2.8727	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.744	C1	C2	H7	108.059
C1	C2	H8	108.059	C2	C1	Cl4	105.921
C2	C1	Cl5	110.809	C2	C1	Cl6	110.809
Cl3	C2	H7	108.525	Cl3	C2	H8	108.525
Cl4	C1	Cl5	109.524	Cl4	C1	Cl6	109.524
Cl5	C1	Cl6	110.158	H7	C2	H8	109.898

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)