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	hartrees
Energy at 0K	-1906.032095
Energy at 298.15K
HF Energy	-1905.618078
Nuclear repulsion energy	511.821576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3053	1.46
2	A'	1530	1488	9.86
3	A'	1337	1300	5.47
4	A'	1087	1057	8.68
5	A'	780	759	43.81
6	A'	691	672	66.77
7	A'	503	489	18.37
8	A'	344	335	0.97
9	A'	283	276	1.63
10	A'	222	216	0.24
11	A'	146	141	0.83
12	A"	3212	3123	1.33
13	A"	1276	1241	13.67
14	A"	964	937	40.21
15	A"	691	672	67.79
16	A"	324	315	0.61
17	A"	227	221	1.53
18	A"	104	101	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.239	0.302	0.000
C2	-1.275	0.394	0.000
Cl3	-2.094	-1.310	0.000
Cl4	0.883	2.076	0.000
Cl5	0.883	-0.559	1.527
Cl6	0.883	-0.559	-1.527
H7	-1.620	0.900	0.903
H8	-1.620	0.900	-0.903

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5169	2.8361	1.8867	1.8673	1.8673	2.1517	2.1517
C2	1.5169		1.8910	2.7356	2.8100	2.8100	1.0909	1.0909
Cl3	2.8361	1.8910		4.5085	3.4293	3.4293	2.4338	2.4338
Cl4	1.8867	2.7356	4.5085		3.0448	3.0448	2.9092	2.9092
Cl5	1.8673	2.8100	3.4293	3.0448		3.0538	2.9637	3.7812
Cl6	1.8673	2.8100	3.4293	3.0448	3.0538		3.7812	2.9637
H7	2.1517	1.0909	2.4338	2.9092	2.9637	3.7812		1.8056
H8	2.1517	1.0909	2.4338	2.9092	3.7812	2.9637	1.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.194	C1	C2	H7	110.129
C1	C2	H8	110.129	C2	C1	Cl4	106.471
C2	C1	Cl5	111.849	C2	C1	Cl6	111.849
Cl3	C2	H7	106.297	Cl3	C2	H8	106.297
Cl4	C1	Cl5	108.398	Cl4	C1	Cl6	108.398
Cl5	C1	Cl6	109.710	H7	C2	H8	111.704

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

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

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