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	hartrees
Energy at 0K	-997.852505
Energy at 298.15K	-997.854321
Nuclear repulsion energy	174.468355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3228	3119	0.00
2	A_g	1653	1598	0.00
3	A_g	1315	1271	0.00
4	A_g	843	815	0.00
5	A_g	349	337	0.00
6	A_u	928	897	79.42
7	A_u	212	204	0.20
8	B_g	780	754	0.00
9	B_u	3225	3117	14.11
10	B_u	1238	1196	19.86
11	B_u	801	774	145.37
12	B_u	239	231	3.48

Atom	x (Å)	y (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.893	1.271
H4	-0.893	-1.271
Cl5	-1.484	1.578
Cl6	1.484	-1.578

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3240	1.0810	2.1295	1.7442	2.6871
C2	1.3240		2.1295	1.0810	2.6871	1.7442
H3	1.0810	2.1295		3.1071	2.3969	2.9100
H4	2.1295	1.0810	3.1071		2.9100	2.3969
Cl5	1.7442	2.6871	2.3969	2.9100		4.3327
Cl6	2.6871	1.7442	2.9100	2.3969	4.3327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.310	C1	C2	Cl6	121.679
C2	C1	H3	124.310	C2	C1	Cl5	121.679
H3	C1	Cl5	114.011	H4	C2	Cl6	114.011

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

using model chemistry: B3LYP/6-311G*

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	-0.253	-0.142
2	C	-0.253	-0.127
3	H	0.281	0.207
4	H	0.281	0.205
5	Cl	-0.028	-0.070
6	Cl	-0.028	-0.073

	x	y	z
x	7.681	-3.192	0.000
y	-3.192	8.483	0.000
z	0.000	0.000	2.808

<r²>	193.547
(<r²>)^1/2	13.912