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	hartrees
Energy at 0K	-997.349918
Energy at 298.15K	-997.351683
Nuclear repulsion energy	174.371655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3157	3129	0.00
2	A_g	1599	1585	0.00
3	A_g	1259	1247	0.00
4	A_g	830	823	0.00
5	A_g	344	340	0.00
6	A_u	889	881	78.53
7	A_u	207	205	0.09
8	B_g	744	737	0.00
9	B_u	3154	3125	14.82
10	B_u	1182	1171	17.29
11	B_u	801	793	146.39
12	B_u	230	228	2.94

Atom	x (Å)	y (Å)
C1	-0.368	0.557
C2	0.368	-0.557
H3	-1.457	0.572
H4	1.457	-0.572
Cl5	0.368	2.134
Cl6	-0.368	-2.134

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3348	1.0890	2.1453	1.7399	2.6908
C2	1.3348		2.1453	1.0890	2.6908	1.7399
H3	1.0890	2.1453		3.1296	2.4017	2.9165
H4	2.1453	1.0890	3.1296		2.9165	2.4017
Cl5	1.7399	2.6908	2.4017	2.9165		4.3305
Cl6	2.6908	1.7399	2.9165	2.4017	4.3305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.216	C1	C2	Cl6	121.563
C2	C1	H3	124.216	C2	C1	Cl5	121.563
H3	C1	Cl5	114.221	H4	C2	Cl6	114.221

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

using model chemistry: PBEPBE/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
1	C	-0.175
2	C	-0.175
3	H	0.192
4	H	0.192
5	Cl	-0.017
6	Cl	-0.017

	x	y	z
x	5.143	0.941	0.000
y	0.941	11.521	0.000
z	0.000	0.000	2.894

<r²>	193.367
(<r²>)^1/2	13.906