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	hartrees
Energy at 0K	-1915.676321
Energy at 298.15K
HF Energy	-1914.804451
Nuclear repulsion energy	532.170584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	2963	5.50
2	A'	1504	1404	5.05
3	A'	1387	1296	14.21
4	A'	1117	1043	8.83
5	A'	878	820	46.60
6	A'	794	741	96.26
7	A'	571	533	15.66
8	A'	397	371	1.55
9	A'	322	300	0.87
10	A'	251	234	0.07
11	A'	156	146	0.50
12	A"	3245	3030	0.01
13	A"	1274	1189	9.99
14	A"	1023	955	51.72
15	A"	772	721	70.75
16	A"	349	326	0.69
17	A"	252	236	0.93
18	A"	110	103	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.281	0.000
C2	-1.255	0.369	0.000
Cl3	-2.069	-1.209	0.000
Cl4	0.867	1.967	0.000
Cl5	0.867	-0.547	1.454
Cl6	0.867	-0.547	-1.454
H7	-1.566	0.911	0.889
H8	-1.566	0.911	-0.889

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5327	2.7773	1.7871	1.7752	1.7752	2.1392	2.1392
C2	1.5327		1.7753	2.6565	2.7310	2.7310	1.0867	1.0867
Cl3	2.7773	1.7753		4.3250	3.3425	3.3425	2.3531	2.3531
Cl4	1.7871	2.6565	4.3250		2.9048	2.9048	2.7972	2.7972
Cl5	1.7752	2.7310	3.3425	2.9048		2.9086	2.8922	3.6793
Cl6	1.7752	2.7310	3.3425	2.9048	2.9086		3.6793	2.8922
H7	2.1392	1.0867	2.3531	2.7972	2.8922	3.6793		1.7785
H8	2.1392	1.0867	2.3531	2.7972	3.6793	2.8922	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.986	C1	C2	H7	108.306
C1	C2	H8	108.306	C2	C1	Cl4	106.042
C2	C1	Cl5	111.087	C2	C1	Cl6	111.087
Cl3	C2	H7	108.189	Cl3	C2	H8	108.189
Cl4	C1	Cl5	109.255	Cl4	C1	Cl6	109.255
Cl5	C1	Cl6	110.014	H7	C2	H8	109.827

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

using model chemistry: CCSD/6-31+G**

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: CCSD/6-31+G**

States and conformations

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