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	hartrees
Energy at 0K	-1915.929116
Energy at 298.15K
HF Energy	-1914.827486
Nuclear repulsion energy	533.598374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	2984	4.22
2	A'	1491	1413	5.20
3	A'	1341	1270	10.79
4	A'	1110	1051	9.95
5	A'	867	821	49.64
6	A'	794	752	96.70
7	A'	569	539	15.92
8	A'	393	372	1.63
9	A'	315	299	0.91
10	A'	247	234	0.05
11	A'	157	148	0.52
12	A"	3222	3052	0.23
13	A"	1251	1185	11.16
14	A"	1000	948	50.60
15	A"	770	729	70.91
16	A"	340	322	0.75
17	A"	250	237	0.95
18	A"	115	109	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.284	0.000
C2	-1.260	0.369	0.000
Cl3	-2.047	-1.221	0.000
Cl4	0.861	1.967	0.000
Cl5	0.861	-0.542	1.451
Cl6	0.861	-0.542	-1.451
H7	-1.575	0.906	0.893
H8	-1.575	0.906	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5309	2.7614	1.7841	1.7717	1.7717	2.1407	2.1407
C2	1.5309		1.7742	2.6553	2.7265	2.7265	1.0886	1.0886
Cl3	2.7614	1.7742		4.3148	3.3195	3.3195	2.3549	2.3549
Cl4	1.7841	2.6553	4.3148		2.8986	2.8986	2.8027	2.8027
Cl5	1.7717	2.7265	3.3195	2.8986		2.9022	2.8881	3.6776
Cl6	1.7717	2.7265	3.3195	2.8986	2.9022		3.6776	2.8881
H7	2.1407	1.0886	2.3549	2.8027	2.8881	3.6776		1.7861
H8	2.1407	1.0886	2.3549	2.8027	3.6776	2.8881	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.128	C1	C2	H7	108.432
C1	C2	H8	108.432	C2	C1	Cl4	106.199
C2	C1	Cl5	111.079	C2	C1	Cl6	111.079
Cl3	C2	H7	108.295	Cl3	C2	H8	108.295
Cl4	C1	Cl5	109.207	Cl4	C1	Cl6	109.207
Cl5	C1	Cl6	109.971	H7	C2	H8	110.253

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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