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	hartrees
Energy at 0K	-1915.771167
Energy at 298.15K
HF Energy	-1914.916706
Nuclear repulsion energy	534.353062

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'	3144	2987	6.40	85.39	0.08	0.14
2	A'	1466	1393	4.26	6.80	0.69	0.82
3	A'	1370	1302	13.58	2.17	0.73	0.84
4	A'	1110	1055	11.27	1.73	0.34	0.51
5	A'	872	828	44.42	19.33	0.49	0.65
6	A'	801	761	118.72	0.98	0.02	0.04
7	A'	572	544	17.02	6.89	0.14	0.24
8	A'	400	380	1.36	8.59	0.18	0.31
9	A'	326	310	0.86	4.24	0.75	0.86
10	A'	256	244	0.01	3.43	0.71	0.83
11	A'	162	154	0.55	0.65	0.68	0.81
12	A"	3218	3058	0.00	54.05	0.75	0.86
13	A"	1277	1214	7.71	3.87	0.75	0.86
14	A"	1016	966	63.63	1.53	0.75	0.86
15	A"	769	731	88.19	5.12	0.75	0.86
16	A"	354	336	0.97	3.20	0.75	0.86
17	A"	262	249	0.45	2.11	0.75	0.86
18	A"	126	119	0.92	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.281	0.000
C2	-1.246	0.366	0.000
Cl3	-2.047	-1.209	0.000
Cl4	0.857	1.967	0.000
Cl5	0.857	-0.547	1.452
Cl6	0.857	-0.547	-1.452
H7	-1.556	0.908	0.893
H8	-1.556	0.908	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5269	2.7613	1.7824	1.7689	1.7689	2.1338	2.1338
C2	1.5269		1.7667	2.6434	2.7142	2.7142	1.0893	1.0893
Cl3	2.7613	1.7667		4.3033	3.3133	3.3133	2.3492	2.3492
Cl4	1.7824	2.6434	4.3033		2.9031	2.9031	2.7825	2.7825
Cl5	1.7689	2.7142	3.3133	2.9031		2.9037	2.8723	3.6657
Cl6	1.7689	2.7142	3.3133	2.9031	2.9037		3.6657	2.8723
H7	2.1338	1.0893	2.3492	2.7825	2.8723	3.6657		1.7865
H8	2.1338	1.0893	2.3492	2.7825	3.6657	2.8723	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.740	C1	C2	H7	108.127
C1	C2	H8	108.127	C2	C1	Cl4	105.769
C2	C1	Cl5	110.665	C2	C1	Cl6	110.665
Cl3	C2	H7	108.334	Cl3	C2	H8	108.334
Cl4	C1	Cl5	109.662	Cl4	C1	Cl6	109.662
Cl5	C1	Cl6	110.316	H7	C2	H8	110.163

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

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

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: MP2/6-311G**

States and conformations

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