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	hartrees
Energy at 0K	-997.777912
Energy at 298.15K	-997.779783
Nuclear repulsion energy	175.560755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3269	3111	0.00
2	A_g	1682	1601	0.00
3	A_g	1315	1252	0.00
4	A_g	876	834	0.00
5	A_g	359	341	0.00
6	A_u	938	893	75.33
7	A_u	217	207	0.16
8	B_g	802	764	0.00
9	B_u	3266	3108	16.13
10	B_u	1240	1180	18.13
11	B_u	849	808	140.45
12	B_u	240	229	3.34

Atom	x (Å)	y (Å)
C1	0.000	0.664
C2	0.000	-0.664
H3	0.900	1.266
H4	-0.900	-1.266
Cl5	-1.469	1.571
Cl6	1.469	-1.571

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3286	1.0824	2.1294	1.7263	2.6746
C2	1.3286		2.1294	1.0824	2.6746	1.7263
H3	1.0824	2.1294		3.1058	2.3886	2.8929
H4	2.1294	1.0824	3.1058		2.8929	2.3886
Cl5	1.7263	2.6746	2.3886	2.8929		4.3014
Cl6	2.6746	1.7263	2.8929	2.3886	4.3014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.747	C1	C2	Cl6	121.677
C2	C1	H3	123.747	C2	C1	Cl5	121.677
H3	C1	Cl5	114.577	H4	C2	Cl6	114.577

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.301
2	C	-0.301
3	H	0.223
4	H	0.223
5	Cl	0.078
6	Cl	0.078

<r²>	190.897
(<r²>)^1/2	13.817