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	hartrees
Energy at 0K	-996.402000
Energy at 298.15K	-996.404086
HF Energy	-995.828608
Nuclear repulsion energy	183.651669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3252	3105
2	A₁	1655	1580
3	A₁	1247	1191
4	A₁	732	699
5	A₁	169	162
6	A₂	883	843
7	A₂	411	393
8	B₁	719	686
9	B₂	3232	3085
10	B₂	1357	1296
11	B₂	886	846
12	B₂	580	554

Atom	y (Å)	z (Å)
C1	0.671	0.962
C2	-0.671	0.962
H3	1.220	1.900
H4	-1.220	1.900
Cl5	1.664	-0.451
Cl6	-1.664	-0.451

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3415	1.0868	2.1105	1.7270	2.7288
C2	1.3415		2.1105	1.0868	2.7288	1.7270
H3	1.0868	2.1105		2.4399	2.3922	3.7205
H4	2.1105	1.0868	2.4399		3.7205	2.3922
Cl5	1.7270	2.7288	2.3922	3.7205		3.3278
Cl6	2.7288	1.7270	3.7205	2.3922	3.3278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.353	C1	C2	Cl6	125.106
C2	C1	H3	120.353	C2	C1	Cl5	125.106
H3	C1	Cl5	114.541	H4	C2	Cl6	114.541

All results from a given calculation for CHClCHCl (Ethene, 1,2-dichloro-, (Z)-)

using model chemistry: MP4/6-31G*

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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