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	hartrees
Energy at 0K	-1894.428228
Energy at 298.15K
HF Energy	-1894.269737
Nuclear repulsion energy	515.720347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3405	3026	2.62	37.98	0.13	0.23
2	A'	1628	1447	0.52	11.74	0.75	0.86
3	A'	1426	1267	11.54	4.20	0.23	0.38
4	A'	1166	1036	19.68	4.62	0.25	0.40
5	A'	975	867	55.12	17.95	0.59	0.74
6	A'	889	790	55.13	2.49	0.21	0.35
7	A'	576	512	20.31	10.99	0.07	0.13
8	A'	391	348	5.28	7.12	0.26	0.41
9	A'	303	269	5.06	3.87	0.74	0.85
10	A'	232	206	1.20	3.53	0.69	0.82
11	A'	142	126	0.79	0.57	0.69	0.82
12	A"	3529	3137	4.05	30.68	0.75	0.86
13	A"	1325	1178	26.37	7.97	0.75	0.86
14	A"	1061	943	44.67	2.74	0.75	0.86
15	A"	849	755	43.31	8.83	0.75	0.86
16	A"	321	285	0.00	2.56	0.75	0.86
17	A"	233	208	3.06	2.04	0.75	0.86
18	A"	90	80	2.69	1.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.306	0.000
C2	-1.316	0.372	0.000
Cl3	-2.083	-1.283	0.000
Cl4	0.882	2.051	0.000
Cl5	0.882	-0.557	1.508
Cl6	0.882	-0.557	-1.508
H7	-1.649	0.916	0.908
H8	-1.649	0.916	-0.908

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5851	2.8376	1.8501	1.8430	1.8430	2.2071	2.2071
C2	1.5851		1.8240	2.7666	2.8231	2.8231	1.1099	1.1099
Cl3	2.8376	1.8240		4.4623	3.4051	3.4051	2.4183	2.4183
Cl4	1.8501	2.7666	4.4623		3.0127	3.0127	2.9198	2.9198
Cl5	1.8430	2.8231	3.4051	3.0127		3.0153	2.9898	3.7970
Cl6	1.8430	2.8231	3.4051	3.0127	3.0153		3.7970	2.9898
H7	2.2071	1.1099	2.4183	2.9198	2.9898	3.7970		1.8167
H8	2.2071	1.1099	2.4183	2.9198	3.7970	2.9898	1.8167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.494	C1	C2	H7	108.679
C1	C2	H8	108.679	C2	C1	Cl4	107.042
C2	C1	Cl5	110.654	C2	C1	Cl6	110.654
Cl3	C2	H7	108.562	Cl3	C2	H8	108.562
Cl4	C1	Cl5	109.329	Cl4	C1	Cl6	109.329
Cl5	C1	Cl6	109.778	H7	C2	H8	109.846

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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