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	hartrees
Energy at 0K	-985.077410
Energy at 298.15K	-985.079303
Nuclear repulsion energy	173.071406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3742	3056	0.00
2	A_g	1995	1629	0.00
3	A_g	1470	1200	0.00
4	A_g	993	811	0.00
5	A_g	389	318	0.00
6	A_u	1136	927	34.37
7	A_u	240	196	6.68
8	B_g	934	763	0.00
9	B_u	3713	3032	93.96
10	B_u	1385	1131	32.48
11	B_u	995	812	84.72
12	B_u	249	203	8.84

Atom	x (Å)	y (Å)
C1	-0.369	0.542
C2	0.369	-0.542
H3	-1.454	0.549
H4	1.454	-0.549
Cl5	0.369	2.154
Cl6	-0.369	-2.154

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3116	1.0856	2.1247	1.7722	2.6958
C2	1.3116		2.1247	1.0856	2.6958	1.7722
H3	1.0856	2.1247		3.1090	2.4291	2.9121
H4	2.1247	1.0856	3.1090		2.9121	2.4291
Cl5	1.7722	2.6958	2.4291	2.9121		4.3699
Cl6	2.6958	1.7722	2.9121	2.4291	4.3699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.563	C1	C2	Cl6	121.173
C2	C1	H3	124.563	C2	C1	Cl5	121.173
H3	C1	Cl5	114.265	H4	C2	Cl6	114.265

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

using model chemistry: HF/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	-0.009
2	C	-0.009
3	H	0.123
4	H	0.123
5	Cl	-0.114
6	Cl	-0.114

	x	y	z
x	2.277	0.428	0.000
y	0.428	6.303	0.000
z	0.000	0.000	0.453

<r²>	195.184
(<r²>)^1/2	13.971