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	hartrees
Energy at 0K	-1915.827598
Energy at 298.15K
HF Energy	-1914.920898
Nuclear repulsion energy	531.320130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2974	4.57
2	A'	1494	1397	4.12
3	A'	1384	1294	15.63
4	A'	1123	1050	10.94
5	A'	873	816	49.53
6	A'	790	738	97.21
7	A'	570	533	17.94
8	A'	394	368	1.70
9	A'	318	298	1.07
10	A'	249	233	0.06
11	A'	159	149	0.60
12	A"	3252	3041	0.01
13	A"	1279	1196	10.29
14	A"	1015	950	50.89
15	A"	765	716	75.84
16	A"	348	326	0.69
17	A"	253	237	0.79
18	A"	118	110	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.282	0.000
C2	-1.249	0.372	0.000
Cl3	-2.063	-1.215	0.000
Cl4	0.864	1.976	0.000
Cl5	0.864	-0.549	1.460
Cl6	0.864	-0.549	-1.460
H7	-1.560	0.906	0.890
H8	-1.560	0.906	-0.890

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5245	2.7747	1.7941	1.7813	1.7813	2.1306	2.1306
C2	1.5245		1.7835	2.6531	2.7285	2.7285	1.0837	1.0837
Cl3	2.7747	1.7835		4.3304	3.3379	3.3379	2.3550	2.3550
Cl4	1.7941	2.6531	4.3304		2.9174	2.9174	2.7948	2.7948
Cl5	1.7813	2.7285	3.3379	2.9174		2.9202	2.8839	3.6763
Cl6	1.7813	2.7285	3.3379	2.9174	2.9202		3.6763	2.8839
H7	2.1306	1.0837	2.3550	2.7948	2.8839	3.6763		1.7802
H8	2.1306	1.0837	2.3550	2.7948	3.6763	2.8839	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.795	C1	C2	H7	108.366
C1	C2	H8	108.366	C2	C1	Cl4	105.870
C2	C1	Cl5	111.013	C2	C1	Cl6	111.013
Cl3	C2	H7	107.937	Cl3	C2	H8	107.937
Cl4	C1	Cl5	109.368	Cl4	C1	Cl6	109.368
Cl5	C1	Cl6	110.104	H7	C2	H8	110.440

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

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