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	hartrees
Energy at 0K	-997.321647
Energy at 298.15K	-997.323403
Nuclear repulsion energy	174.022723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3157	3139	0.00
2	A_g	1605	1595	0.00
3	A_g	1232	1225	0.00
4	A_g	832	827	0.00
5	A_g	345	343	0.00
6	A_u	881	875	57.95
7	A_u	209	207	0.14
8	B_g	732	728	0.00
9	B_u	3153	3135	12.69
10	B_u	1146	1140	15.76
11	B_u	813	808	134.32
12	B_u	228	227	2.94

Atom	x (Å)	y (Å)
C1	-0.370	0.560
C2	0.370	-0.560
H3	-1.468	0.567
H4	1.468	-0.567
Cl5	0.370	2.136
Cl6	-0.370	-2.136

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3431	1.0984	2.1565	1.7406	2.6963
C2	1.3431		2.1565	1.0984	2.6963	1.7406
H3	1.0984	2.1565		3.1480	2.4169	2.9174
H4	2.1565	1.0984	3.1480		2.9174	2.4169
Cl5	1.7406	2.6963	2.4169	2.9174		4.3353
Cl6	2.6963	1.7406	2.9174	2.4169	4.3353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.776	C1	C2	Cl6	121.404
C2	C1	H3	123.776	C2	C1	Cl5	121.404
H3	C1	Cl5	114.820	H4	C2	Cl6	114.820

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.030
2	C	-0.030
3	H	0.066
4	H	0.066
5	Cl	-0.036
6	Cl	-0.036

	x	y	z
x	5.128	0.779	0.000
y	0.779	10.927	0.000
z	0.000	0.000	2.835

<r²>	193.189
(<r²>)^1/2	13.899