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	hartrees
Energy at 0K	-997.722999
Energy at 298.15K	-997.724877
HF Energy	-997.722999
Nuclear repulsion energy	175.167414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3273	3118	0.00
2	A_g	1694	1614	0.00
3	A_g	1311	1249	0.00
4	A_g	873	832	0.00
5	A_g	358	341	0.00
6	A_u	936	891	75.26
7	A_u	215	205	0.26
8	B_g	806	768	0.00
9	B_u	3268	3113	15.66
10	B_u	1232	1174	18.25
11	B_u	842	802	138.08
12	B_u	243	232	3.69

Atom	x (Å)	y (Å)
C1	-0.373	0.548
C2	0.373	-0.548
H3	-1.450	0.523
H4	1.450	-0.523
Cl5	0.373	2.108
Cl6	-0.373	-2.108

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3255	1.0778	2.1142	1.7294	2.6564
C2	1.3255		2.1142	1.0778	2.6564	1.7294
H3	1.0778	2.1142		3.0831	2.4162	2.8432
H4	2.1142	1.0778	3.0831		2.8432	2.4162
Cl5	1.7294	2.6564	2.4162	2.8432		4.2823
Cl6	2.6564	1.7294	2.8432	2.4162	4.2823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.883	C1	C2	Cl6	120.234
C2	C1	H3	122.883	C2	C1	Cl5	120.234
H3	C1	Cl5	116.883	H4	C2	Cl6	116.883

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.269
2	C	-0.269
3	H	0.219
4	H	0.219
5	Cl	0.050
6	Cl	0.050

	x	y	z
x	5.617	0.478	0.000
y	0.478	11.005	0.000
z	0.000	0.000	4.185

<r²>	191.668
(<r²>)^1/2	13.844