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	hartrees
Energy at 0K	-997.362479
Energy at 298.15K	-997.364330
HF Energy	-997.191446
Nuclear repulsion energy	174.905296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3283	3116	0.00
2	A_g	1671	1587	0.00
3	A_g	1334	1266	0.00
4	A_g	873	828	0.00
5	A_g	356	338	0.00
6	A_u	947	899	64.63
7	A_u	217	206	0.54
8	B_g	784	744	0.00
9	B_u	3280	3113	13.79
10	B_u	1261	1197	19.99
11	B_u	839	796	125.38
12	B_u	242	229	3.77

Atom	x (Å)	y (Å)
C1	-0.367	0.555
C2	0.367	-0.555
H3	-1.448	0.563
H4	1.448	-0.563
Cl5	0.367	2.128
Cl6	-0.367	-2.128

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3312	1.0816	2.1321	1.7352	2.6831
C2	1.3312		2.1321	1.0816	2.6831	1.7352
H3	1.0816	2.1321		3.1080	2.3967	2.9000
H4	2.1321	1.0816	3.1080		2.9000	2.3967
Cl5	1.7352	2.6831	2.3967	2.9000		4.3183
Cl6	2.6831	1.7352	2.9000	2.3967	4.3183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.849	C1	C2	Cl6	121.539
C2	C1	H3	123.849	C2	C1	Cl5	121.539
H3	C1	Cl5	114.612	H4	C2	Cl6	114.612

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

using model chemistry: B2PLYP/6-31G*

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	-0.230
2	C	-0.230
3	H	0.232
4	H	0.232
5	Cl	-0.002
6	Cl	-0.002

	x	y	z
x	4.798	0.684	0.000
y	0.684	10.203	0.000
z	0.000	0.000	2.705

<r²>	192.136
(<r²>)^1/2	13.861