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	hartrees
Energy at 0K	-997.709868
Energy at 298.15K	-997.711582
Nuclear repulsion energy	172.761984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3165	3141	0.00
2	A_g	1593	1581	0.00
3	A_g	1270	1260	0.00
4	A_g	809	803	0.00
5	A_g	335	333	0.00
6	A_u	892	885	59.07
7	A_u	204	203	0.47
8	B_g	731	725	0.00
9	B_u	3163	3138	12.90
10	B_u	1192	1183	20.42
11	B_u	768	762	137.55
12	B_u	229	227	3.40

Atom	x (Å)	y (Å)
C1	0.000	0.670
C2	0.000	-0.670
H3	0.898	1.287
H4	-0.898	-1.287
Cl5	-1.504	1.587
Cl6	1.504	-1.587

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3399	1.0894	2.1532	1.7618	2.7124
C2	1.3399		2.1532	1.0894	2.7124	1.7618
H3	1.0894	2.1532		3.1386	2.4206	2.9376
H4	2.1532	1.0894	3.1386		2.9376	2.4206
Cl5	1.7618	2.7124	2.4206	2.9376		4.3735
Cl6	2.7124	1.7618	2.9376	2.4206	4.3735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.510	C1	C2	Cl6	121.373
C2	C1	H3	124.510	C2	C1	Cl5	121.373
H3	C1	Cl5	114.117	H4	C2	Cl6	114.117

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.146
2	C	-0.146
3	H	0.149
4	H	0.149
5	Cl	-0.003
6	Cl	-0.003

<r²>	196.167
(<r²>)^1/2	14.006