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	hartrees
Energy at 0K	-992.561127
Energy at 298.15K	-992.562902
HF Energy	-992.561127
Nuclear repulsion energy	171.128106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3307	3186	0.00
2	A_g	1704	1642	0.00
3	A_g	1306	1258	0.00
4	A_g	786	757	0.00
5	A_g	335	323	0.00
6	A_u	958	922	119.02
7	A_u	209	202	0.95
8	B_g	840	810	0.00
9	B_u	3302	3181	15.43
10	B_u	1228	1183	18.36
11	B_u	750	722	119.62
12	B_u	228	220	5.08

Atom	x (Å)	y (Å)
C1	-0.381	0.535
C2	0.381	-0.535
H3	-1.460	0.551
H4	1.460	-0.551
Cl5	0.381	2.175
Cl6	-0.381	-2.175

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3146	1.0791	2.1378	1.8083	2.7107
C2	1.3146		2.1378	1.0791	2.7107	1.8083
H3	1.0791	2.1378		3.1211	2.4556	2.9317
H4	2.1378	1.0791	3.1211		2.9317	2.4556
Cl5	1.8083	2.7107	2.4556	2.9317		4.4167
Cl6	2.7107	1.8083	2.9317	2.4556	4.4167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	126.252	C1	C2	Cl6	119.620
C2	C1	H3	126.252	C2	C1	Cl5	119.620
H3	C1	Cl5	114.128	H4	C2	Cl6	114.128

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

using model chemistry: HSEh1PBE/3-21G

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	-0.404
2	C	-0.404
3	H	0.305
4	H	0.305
5	Cl	0.099
6	Cl	0.099

	x	y	z
x	4.155	1.005	0.000
y	1.005	10.276	0.000
z	0.000	0.000	1.698

<r²>	199.903
(<r²>)^1/2	14.139