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	hartrees
Energy at 0K	-997.643150
Energy at 298.15K	-997.644992
Nuclear repulsion energy	175.233362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3119	0.00
2	A_g	1677	1605	0.00
3	A_g	1319	1261	0.00
4	A_g	869	832	0.00
5	A_g	356	340	0.00
6	A_u	936	896	70.32
7	A_u	216	207	0.40
8	B_g	787	753	0.00
9	B_u	3257	3116	13.83
10	B_u	1244	1190	18.14
11	B_u	840	804	134.75
12	B_u	239	229	3.59

Atom	x (Å)	y (Å)
C1	0.000	0.665
C2	0.000	-0.665
H3	0.900	1.269
H4	-0.900	-1.269
Cl5	-1.473	1.573
Cl6	1.473	-1.573

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3298	1.0839	2.1328	1.7303	2.6789
C2	1.3298		2.1328	1.0839	2.6789	1.7303
H3	1.0839	2.1328		3.1111	2.3926	2.8984
H4	2.1328	1.0839	3.1111		2.8984	2.3926
Cl5	1.7303	2.6789	2.3926	2.8984		4.3096
Cl6	2.6789	1.7303	2.8984	2.3926	4.3096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.847	C1	C2	Cl6	121.644
C2	C1	H3	123.847	C2	C1	Cl5	121.644
H3	C1	Cl5	114.509	H4	C2	Cl6	114.509

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.255	-0.149
2	C	-0.255	-0.137
3	H	0.237	0.206
4	H	0.237	0.204
5	Cl	0.017	-0.061
6	Cl	0.017	-0.063

<r²>	191.184
(<r²>)^1/2	13.827