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	hartrees
Energy at 0K	-997.753760
Energy at 298.15K	-997.755471
Nuclear repulsion energy	172.508296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	3149	0.00
2	A_g	1583	1586	0.00
3	A_g	1238	1240	0.00
4	A_g	803	804	0.00
5	A_g	335	335	0.00
6	A_u	884	885	52.83
7	A_u	203	203	0.24
8	B_g	730	731	0.00
9	B_u	3140	3145	11.33
10	B_u	1151	1153	18.03
11	B_u	768	769	134.88
12	B_u	227	227	3.08

Atom	x (Å)	y (Å)
C1	0.000	0.672
C2	0.000	-0.672
H3	0.906	1.290
H4	-0.906	-1.290
Cl5	-1.506	1.589
Cl6	1.506	-1.589

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3432	1.0972	2.1608	1.7631	2.7159
C2	1.3432		2.1608	1.0972	2.7159	1.7631
H3	1.0972	2.1608		3.1531	2.4307	2.9403
H4	2.1608	1.0972	3.1531		2.9403	2.4307
Cl5	1.7631	2.7159	2.4307	2.9403		4.3778
Cl6	2.7159	1.7631	2.9403	2.4307	4.3778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.298	C1	C2	Cl6	121.344
C2	C1	H3	124.298	C2	C1	Cl5	121.344
H3	C1	Cl5	114.358	H4	C2	Cl6	114.358

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

using model chemistry: BLYP/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	0.009
2	C	0.009
3	H	0.039
4	H	0.039
5	Cl	-0.048
6	Cl	-0.048

	x	y	z
x	7.704	-3.039	0.000
y	-3.039	8.520	0.000
z	0.000	0.000	2.819

<r²>	0.000
(<r²>)^1/2	0.000