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	hartrees
Energy at 0K	-997.711969
Energy at 298.15K	-997.713813
Nuclear repulsion energy	175.369952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3113	0.00
2	A_g	1665	1603	0.00
3	A_g	1314	1265	0.00
4	A_g	862	830	0.00
5	A_g	355	341	0.00
6	A_u	930	895	82.11
7	A_u	214	206	0.12
8	B_g	782	753	0.00
9	B_u	3230	3110	14.54
10	B_u	1238	1192	17.34
11	B_u	830	799	145.74
12	B_u	240	231	3.29

Atom	x (Å)	y (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.897	1.267
H4	-0.897	-1.267
Cl5	-1.471	1.573
Cl6	1.471	-1.573

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3248	1.0822	2.1282	1.7303	2.6763
C2	1.3248		2.1282	1.0822	2.6763	1.7303
H3	1.0822	2.1282		3.1058	2.3881	2.8981
H4	2.1282	1.0822	3.1058		2.8981	2.3881
Cl5	1.7303	2.6763	2.3881	2.8981		4.3079
Cl6	2.6763	1.7303	2.8981	2.3881	4.3079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.990	C1	C2	Cl6	121.764
C2	C1	H3	123.990	C2	C1	Cl5	121.764
H3	C1	Cl5	114.246	H4	C2	Cl6	114.246

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

using model chemistry: B3PW91/6-311G*

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	-0.274
2	C	-0.274
3	H	0.292
4	H	0.292
5	Cl	-0.019
6	Cl	-0.019

<r²>	191.481
(<r²>)^1/2	13.838