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	hartrees
Energy at 0K	-995.849093
Energy at 298.15K	-995.851122
Nuclear repulsion energy	176.287510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3406	3084	0.00
2	A_g	1821	1649	0.00
3	A_g	1413	1279	0.00
4	A_g	918	832	0.00
5	A_g	378	343	0.00
6	A_u	1056	957	53.87
7	A_u	235	213	1.11
8	B_g	918	832	0.00
9	B_u	3400	3079	18.87
10	B_u	1324	1199	26.45
11	B_u	880	797	142.81
12	B_u	257	233	4.90

Atom	x (Å)	y (Å)
C1	0.000	0.654
C2	0.000	-0.654
H3	0.888	1.253
H4	-0.888	-1.253
Cl5	-1.473	1.558
Cl6	1.473	-1.558

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3079	1.0706	2.1030	1.7279	2.6572
C2	1.3079		2.1030	1.0706	2.6572	1.7279
H3	1.0706	2.1030		3.0704	2.3799	2.8707
H4	2.1030	1.0706	3.0704		2.8707	2.3799
Cl5	1.7279	2.6572	2.3799	2.8707		4.2874
Cl6	2.6572	1.7279	2.8707	2.3799	4.2874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.001	C1	C2	Cl6	121.538
C2	C1	H3	124.001	C2	C1	Cl5	121.538
H3	C1	Cl5	114.461	H4	C2	Cl6	114.461

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

using model chemistry: HF/6-31G(2df,p)

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	-0.110
2	C	-0.110
3	H	0.210
4	H	0.210
5	Cl	-0.100
6	Cl	-0.100

	x	y	z
x	7.297	-2.532	0.000
y	-2.532	8.557	0.000
z	0.000	0.000	3.780

<r²>	189.678
(<r²>)^1/2	13.772