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	hartrees
Energy at 0K	-995.893485
Energy at 298.15K	-995.895507
Nuclear repulsion energy	175.884305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3416	3089	0.00
2	A_g	1819	1645	0.00
3	A_g	1428	1291	0.00
4	A_g	922	834	0.00
5	A_g	377	341	0.00
6	A_u	1050	949	81.74
7	A_u	233	211	0.66
8	B_g	905	818	0.00
9	B_u	3410	3084	16.05
10	B_u	1345	1216	26.93
11	B_u	876	792	155.47
12	B_u	258	234	4.58

Atom	x (Å)	y (Å)
C1	0.000	0.654
C2	0.000	-0.654
H3	0.886	1.254
H4	-0.886	-1.254
Cl5	-1.474	1.565
Cl6	1.474	-1.565

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3084	1.0702	2.1039	1.7325	2.6643
C2	1.3084		2.1039	1.0702	2.6643	1.7325
H3	1.0702	2.1039		3.0711	2.3805	2.8798
H4	2.1039	1.0702	3.0711		2.8798	2.3805
Cl5	1.7325	2.6643	2.3805	2.8798		4.2998
Cl6	2.6643	1.7325	2.8798	2.3805	4.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.075	C1	C2	Cl6	121.733
C2	C1	H3	124.075	C2	C1	Cl5	121.733
H3	C1	Cl5	114.192	H4	C2	Cl6	114.192

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

using model chemistry: HF/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	CHELPG	ESP
1	C	-0.243	-0.064	-0.135
2	C	-0.243	-0.064	-0.115
3	H	0.303	0.184	0.222
4	H	0.303	0.184	0.219
5	Cl	-0.060	-0.120	-0.094
6	Cl	-0.060	-0.120	-0.098

	x	y	z
x	6.997	-2.826	0.000
y	-2.826	8.099	0.000
z	0.000	0.000	2.717

<r²>	191.161
(<r²>)^1/2	13.826