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	hartrees
Energy at 0K	-1915.990392
Energy at 298.15K
HF Energy	-1914.913624
Nuclear repulsion energy	534.793483

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'	3146	2980	6.02	82.10	0.08	0.15
2	A'	1490	1412	7.14	7.14	0.68	0.81
3	A'	1384	1311	10.33	2.36	0.74	0.85
4	A'	1115	1056	10.79	1.82	0.30	0.47
5	A'	872	826	46.62	19.76	0.49	0.65
6	A'	801	758	115.76	1.12	0.03	0.06
7	A'	573	543	17.14	6.87	0.14	0.24
8	A'	401	379	1.36	8.54	0.19	0.31
9	A'	326	309	0.90	4.25	0.75	0.86
10	A'	257	243	0.01	3.43	0.71	0.83
11	A'	163	154	0.60	0.65	0.69	0.81
12	A"	3223	3053	0.02	54.07	0.75	0.86
13	A"	1295	1227	7.88	4.07	0.75	0.86
14	A"	1024	969	65.72	1.62	0.75	0.86
15	A"	771	730	87.13	5.20	0.75	0.86
16	A"	354	335	1.09	3.19	0.75	0.86
17	A"	263	249	0.52	2.11	0.75	0.86
18	A"	126	120	1.03	1.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.282	0.000
C2	-1.246	0.367	0.000
Cl3	-2.043	-1.210	0.000
Cl4	0.856	1.966	0.000
Cl5	0.856	-0.546	1.451
Cl6	0.856	-0.546	-1.451
H7	-1.558	0.907	0.893
H8	-1.558	0.907	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5243	2.7577	1.7814	1.7677	1.7677	2.1332	2.1332
C2	1.5243		1.7673	2.6410	2.7120	2.7120	1.0888	1.0888
Cl3	2.7577	1.7673		4.3005	3.3095	3.3095	2.3482	2.3482
Cl4	1.7814	2.6410	4.3005		2.9002	2.9002	2.7831	2.7831
Cl5	1.7677	2.7120	3.3095	2.9002		2.9011	2.8719	3.6643
Cl6	1.7677	2.7120	3.3095	2.9002	2.9011		3.6643	2.8719
H7	2.1332	1.0888	2.3482	2.7831	2.8719	3.6643		1.7854
H8	2.1332	1.0888	2.3482	2.7831	3.6643	2.8719	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.610	C1	C2	H7	108.291
C1	C2	H8	108.291	C2	C1	Cl4	105.794
C2	C1	Cl5	110.726	C2	C1	Cl6	110.726
Cl3	C2	H7	108.247	Cl3	C2	H8	108.247
Cl4	C1	Cl5	109.604	Cl4	C1	Cl6	109.604
Cl5	C1	Cl6	110.285	H7	C2	H8	110.140

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)