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	hartrees
Energy at 0K	-992.943486
Energy at 298.15K	-992.945199
Nuclear repulsion energy	169.788331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3292	3177	0.00
2	A_g	1679	1620	0.00
3	A_g	1299	1253	0.00
4	A_g	764	738	0.00
5	A_g	324	312	0.00
6	A_u	944	911	108.12
7	A_u	203	196	1.16
8	B_g	818	789	0.00
9	B_u	3287	3172	13.71
10	B_u	1218	1175	22.44
11	B_u	718	693	120.97
12	B_u	223	215	5.20

Atom	x (Å)	y (Å)
C1	0.000	0.658
C2	0.000	-0.658
H3	0.863	1.304
H4	-0.863	-1.304
Cl5	-1.592	1.558
Cl6	1.592	-1.558

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3154	1.0779	2.1429	1.8292	2.7287
C2	1.3154		2.1429	1.0779	2.7287	1.8292
H3	1.0779	2.1429		3.1269	2.4682	2.9535
H4	2.1429	1.0779	3.1269		2.9535	2.4682
Cl5	1.8292	2.7287	2.4682	2.9535		4.4557
Cl6	2.7287	1.8292	2.9535	2.4682	4.4557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	126.820	C1	C2	Cl6	119.497
C2	C1	H3	126.820	C2	C1	Cl5	119.497
H3	C1	Cl5	113.683	H4	C2	Cl6	113.683

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

using model chemistry: B3LYP/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	-0.353	-0.141
2	C	-0.353	-0.132
3	H	0.278	0.236
4	H	0.278	0.235
5	Cl	0.074	-0.098
6	Cl	0.074	-0.099

	x	y	z
x	7.343	-3.352	0.000
y	-3.352	7.361	0.000
z	0.000	0.000	1.687

<r²>	202.893
(<r²>)^1/2	14.244