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	hartrees
Energy at 0K	-106.474370
Energy at 298.15K	-106.476031
HF Energy	-106.227186
Nuclear repulsion energy	74.598134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3266	3146	0.00
2	A_g	1594	1535	0.00
3	A_g	1310	1262	0.00
4	A_g	789	760	0.00
5	A_g	321	309	0.00
6	A_u	952	917	103.07
7	A_u	200	193	0.85
8	B_g	706	680	0.00
9	B_u	3263	3142	9.21
10	B_u	1230	1185	14.73
11	B_u	742	715	75.75
12	B_u	217	209	5.44

Atom	x (Å)	y (Å)
C1	0.000	0.678
C2	0.000	-0.678
H3	0.892	1.304
H4	-0.892	-1.304
Cl5	-1.563	1.616
Cl6	1.563	-1.616

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3565	1.0895	2.1737	1.8225	2.7760
C2	1.3565		2.1737	1.0895	2.7760	1.8225
H3	1.0895	2.1737		3.1597	2.4742	2.9963
H4	2.1737	1.0895	3.1597		2.9963	2.4742
Cl5	1.8225	2.7760	2.4742	2.9963		4.4961
Cl6	2.7760	1.8225	2.9963	2.4742	4.4961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	125.057	C1	C2	Cl6	120.978
C2	C1	H3	125.057	C2	C1	Cl5	120.978
H3	C1	Cl5	113.966	H4	C2	Cl6	113.966

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

using model chemistry: MP2/LANL2DZ

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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