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	hartrees
Energy at 0K	-991.295148
Energy at 298.15K	-991.296874
HF Energy	-991.019521
Nuclear repulsion energy	168.569804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	3159	0.00
2	A_g	1652	1577	0.00
3	A_g	1324	1263	0.00
4	A_g	766	731	0.00
5	A_g	322	307	0.00
6	A_u	973	928	99.44
7	A_u	204	195	1.26
8	B_g	821	783	0.00
9	B_u	3304	3154	8.79
10	B_u	1250	1193	24.75
11	B_u	719	687	82.78
12	B_u	225	214	5.11

Atom	x (Å)	y (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.870	1.301
H4	-0.870	-1.301
Cl5	-1.598	1.578
Cl6	1.598	-1.578

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3247	1.0790	2.1472	1.8420	2.7522
C2	1.3247		2.1472	1.0790	2.7522	1.8420
H3	1.0790	2.1472		3.1296	2.4836	2.9697
H4	2.1472	1.0790	3.1296		2.9697	2.4836
Cl5	1.8420	2.7522	2.4836	2.9697		4.4922
Cl6	2.7522	1.8420	2.9697	2.4836	4.4922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	126.275	C1	C2	Cl6	119.821
C2	C1	H3	126.275	C2	C1	Cl5	119.821
H3	C1	Cl5	113.905	H4	C2	Cl6	113.905

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

using model chemistry: MP2/3-21G

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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Number	Element	Mulliken	ESP
1	C	-0.329	-0.125
2	C	-0.329	-0.116
3	H	0.274	0.224
4	H	0.274	0.223
5	Cl	0.055	-0.102
6	Cl	0.055	-0.104

	x	y	z
x	7.200	-3.164	0.000
y	-3.164	6.868	0.000
z	0.000	0.000	1.607

<r²>	206.497
(<r²>)^1/2	14.370