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	hartrees
Energy at 0K	-997.789247
Energy at 298.15K	-997.791119
HF Energy	-997.789247
Nuclear repulsion energy	175.339654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3251	3110	0.00
2	A_g	1688	1614	0.00
3	A_g	1306	1249	0.00
4	A_g	867	830	0.00
5	A_g	357	341	0.00
6	A_u	938	898	81.93
7	A_u	214	205	0.27
8	B_g	806	771	0.00
9	B_u	3245	3104	15.45
10	B_u	1225	1172	17.98
11	B_u	835	798	143.20
12	B_u	243	232	3.65

Atom	x (Å)	y (Å)
C1	-0.372	0.546
C2	0.372	-0.546
H3	-1.446	0.521
H4	1.446	-0.521
Cl5	0.372	2.107
Cl6	-0.372	-2.107

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3208	1.0744	2.1077	1.7293	2.6525
C2	1.3208		2.1077	1.0744	2.6525	1.7293
H3	1.0744	2.1077		3.0739	2.4127	2.8386
H4	2.1077	1.0744	3.0739		2.8386	2.4127
Cl5	1.7293	2.6525	2.4127	2.8386		4.2787
Cl6	2.6525	1.7293	2.8386	2.4127	4.2787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.946	C1	C2	Cl6	120.240
C2	C1	H3	122.946	C2	C1	Cl5	120.240
H3	C1	Cl5	116.814	H4	C2	Cl6	116.814

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

using model chemistry: wB97X-D/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	-0.173
2	C	-0.173
3	H	0.201
4	H	0.201
5	Cl	-0.028
6	Cl	-0.028

	x	y	z
x	4.965	0.782	0.000
y	0.782	10.862	0.000
z	0.000	0.000	2.829

<r²>	191.546
(<r²>)^1/2	13.840