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	hartrees
Energy at 0K	-1916.006047
Energy at 298.15K
HF Energy	-1914.916688
Nuclear repulsion energy	534.902165

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	2988	6.38	85.22	0.08	0.14
2	A'	1464	1389	4.49	6.81	0.69	0.82
3	A'	1371	1301	13.27	2.17	0.73	0.84
4	A'	1115	1057	11.03	1.75	0.33	0.50
5	A'	875	830	44.56	19.29	0.49	0.66
6	A'	804	763	116.82	0.99	0.02	0.04
7	A'	574	544	16.59	6.85	0.13	0.24
8	A'	401	380	1.32	8.49	0.18	0.31
9	A'	326	310	0.86	4.20	0.75	0.86
10	A'	257	244	0.01	3.41	0.71	0.83
11	A'	163	154	0.55	0.65	0.68	0.81
12	A"	3224	3058	0.00	53.93	0.75	0.86
13	A"	1278	1213	7.52	3.88	0.75	0.86
14	A"	1016	964	64.68	1.55	0.75	0.86
15	A"	771	732	86.07	5.08	0.75	0.86
16	A"	354	336	0.93	3.18	0.75	0.86
17	A"	263	249	0.45	2.10	0.75	0.86
18	A"	127	120	0.91	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.281	0.000
C2	-1.245	0.366	0.000
Cl3	-2.044	-1.208	0.000
Cl4	0.856	1.965	0.000
Cl5	0.856	-0.546	1.451
Cl6	0.856	-0.546	-1.451
H7	-1.554	0.907	0.893
H8	-1.554	0.907	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5246	2.7581	1.7807	1.7673	1.7673	2.1315	2.1315
C2	1.5246		1.7651	2.6406	2.7109	2.7109	1.0889	1.0889
Cl3	2.7581	1.7651		4.2990	3.3094	3.3094	2.3474	2.3474
Cl4	1.7807	2.6406	4.2990		2.9002	2.9002	2.7798	2.7798
Cl5	1.7673	2.7109	3.3094	2.9002		2.9012	2.8690	3.6622
Cl6	1.7673	2.7109	3.3094	2.9002	2.9012		3.6622	2.8690
H7	2.1315	1.0889	2.3474	2.7798	2.8690	3.6622		1.7857
H8	2.1315	1.0889	2.3474	2.7798	3.6622	2.8690	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.745	C1	C2	H7	108.130
C1	C2	H8	108.130	C2	C1	Cl4	105.793
C2	C1	Cl5	110.658	C2	C1	Cl6	110.658
Cl3	C2	H7	108.332	Cl3	C2	H8	108.332
Cl4	C1	Cl5	109.652	Cl4	C1	Cl6	109.652
Cl5	C1	Cl6	110.326	H7	C2	H8	110.158

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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