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	hartrees
Energy at 0K	-1906.682195
Energy at 298.15K
HF Energy	-1906.048491
Nuclear repulsion energy	530.855565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3002	3.00
2	A'	1587	1477	10.64
3	A'	1427	1328	6.05
4	A'	1077	1002	8.74
5	A'	860	800	40.29
6	A'	776	722	100.20
7	A'	569	530	19.16
8	A'	397	369	1.56
9	A'	323	301	1.02
10	A'	255	237	0.12
11	A'	163	152	0.73
12	A"	3293	3064	0.97
13	A"	1348	1255	9.14
14	A"	1047	974	46.32
15	A"	756	704	79.75
16	A"	354	329	0.75
17	A"	261	242	1.24
18	A"	115	107	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.289	0.000
C2	-1.269	0.367	0.000
Cl3	-2.047	-1.241	0.000
Cl4	0.863	1.984	0.000
Cl5	0.863	-0.540	1.460
Cl6	0.863	-0.540	-1.460
H7	-1.587	0.898	0.890
H8	-1.587	0.898	-0.890

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5368	2.7734	1.7966	1.7817	1.7817	2.1434	2.1434
C2	1.5368		1.7867	2.6752	2.7383	2.7383	1.0837	1.0837
Cl3	2.7734	1.7867		4.3436	3.3301	3.3301	2.3616	2.3616
Cl4	1.7966	2.6752	4.3436		2.9156	2.9156	2.8235	2.8235
Cl5	1.7817	2.7383	3.3301	2.9156		2.9191	2.8967	3.6862
Cl6	1.7817	2.7383	3.3301	2.9156	2.9191		3.6862	2.8967
H7	2.1434	1.0837	2.3616	2.8235	2.8967	3.6862		1.7804
H8	2.1434	1.0837	2.3616	2.8235	3.6862	2.8967	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.909	C1	C2	H7	108.522
C1	C2	H8	108.522	C2	C1	Cl4	106.490
C2	C1	Cl5	110.996	C2	C1	Cl6	110.996
Cl3	C2	H7	108.215	Cl3	C2	H8	108.215
Cl4	C1	Cl5	109.131	Cl4	C1	Cl6	109.131
Cl5	C1	Cl6	110.005	H7	C2	H8	110.461

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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