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	hartrees
Energy at 0K	-1915.780861
Energy at 298.15K
HF Energy	-1914.920819
Nuclear repulsion energy	532.426754

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'	3155	2991	4.87	90.35	0.07	0.12
2	A'	1474	1397	4.87	6.51	0.70	0.83
3	A'	1364	1293	13.80	2.07	0.56	0.72
4	A'	1108	1051	12.08	2.80	0.26	0.42
5	A'	861	816	44.19	19.63	0.50	0.67
6	A'	786	745	108.85	1.15	0.03	0.06
7	A'	566	537	17.99	7.38	0.13	0.23
8	A'	392	372	1.61	9.19	0.19	0.31
9	A'	318	301	1.06	4.25	0.75	0.86
10	A'	248	236	0.04	3.17	0.70	0.82
11	A'	158	150	0.61	0.59	0.66	0.80
12	A"	3235	3066	0.03	50.89	0.75	0.86
13	A"	1264	1198	9.82	4.83	0.75	0.86
14	A"	1006	954	52.82	0.61	0.75	0.86
15	A"	754	714	83.55	6.81	0.75	0.86
16	A"	349	331	0.79	2.74	0.75	0.86
17	A"	252	239	0.67	1.92	0.75	0.86
18	A"	119	113	1.09	1.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.282	0.000
C2	-1.247	0.371	0.000
Cl3	-2.053	-1.214	0.000
Cl4	0.860	1.975	0.000
Cl5	0.860	-0.549	1.458
Cl6	0.860	-0.549	-1.458
H7	-1.557	0.907	0.892
H8	-1.557	0.907	-0.892

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5215	2.7645	1.7918	1.7785	1.7785	2.1286	2.1286
C2	1.5215		1.7781	2.6477	2.7227	2.7227	1.0858	1.0858
Cl3	2.7645	1.7781		4.3187	3.3246	3.3246	2.3536	2.3536
Cl4	1.7918	2.6477	4.3187		2.9149	2.9149	2.7888	2.7888
Cl5	1.7785	2.7227	3.3246	2.9149		2.9159	2.8781	3.6724
Cl6	1.7785	2.7227	3.3246	2.9149	2.9159		3.6724	2.8781
H7	2.1286	1.0858	2.3536	2.7888	2.8781	3.6724		1.7842
H8	2.1286	1.0858	2.3536	2.7888	3.6724	2.8781	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.597	C1	C2	H7	108.292
C1	C2	H8	108.292	C2	C1	Cl4	105.805
C2	C1	Cl5	110.949	C2	C1	Cl6	110.949
Cl3	C2	H7	108.088	Cl3	C2	H8	108.088
Cl4	C1	Cl5	109.456	Cl4	C1	Cl6	109.456
Cl5	C1	Cl6	110.123	H7	C2	H8	110.487

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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