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	hartrees
Energy at 0K	-986.793959
Energy at 298.15K	-986.795585
Nuclear repulsion energy	170.458685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3474	3101	0.00
2	A_g	1762	1573	0.00
3	A_g	1338	1194	0.00
4	A_g	893	797	0.00
5	A_g	350	313	0.00
6	A_u	983	877	42.19
7	A_u	212	189	3.58
8	B_g	780	696	0.00
9	B_u	3454	3083	56.77
10	B_u	1256	1121	18.21
11	B_u	893	797	80.50
12	B_u	222	198	6.11

Atom	x (Å)	y (Å)
C1	-0.378	0.554
C2	0.378	-0.554
H3	-1.478	0.565
H4	1.478	-0.565
Cl5	0.378	2.184
Cl6	-0.378	-2.184

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3410	1.1004	2.1675	1.7969	2.7379
C2	1.3410		2.1675	1.1004	2.7379	1.7969
H3	1.1004	2.1675		3.1654	2.4630	2.9613
H4	2.1675	1.1004	3.1654		2.9613	2.4630
Cl5	1.7969	2.7379	2.4630	2.9613		4.4330
Cl6	2.7379	1.7969	2.9613	2.4630	4.4330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.904	C1	C2	Cl6	120.812
C2	C1	H3	124.904	C2	C1	Cl5	120.812
H3	C1	Cl5	114.284	H4	C2	Cl6	114.284

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.042
2	C	-0.042
3	H	0.130
4	H	0.130
5	Cl	-0.088
6	Cl	-0.088

	x	y	z
x	2.320	0.636	0.000
y	0.636	6.731	0.000
z	0.000	0.000	0.511

<r²>	199.886
(<r²>)^1/2	14.138