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	hartrees
Energy at 0K	-5197.451918
Energy at 298.15K	-5197.459551
HF Energy	-5196.976283
Nuclear repulsion energy	428.106042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3088	1.87
2	A₁	1620	1557	18.84
3	A₁	1231	1183	1.99
4	A₁	594	570	7.74
5	A₁	114	109	0.03
6	A₂	922	886	0.00
7	A₂	375	361	0.00
8	B₁	711	683	64.18
9	B₂	3187	3063	8.90
10	B₂	1349	1296	32.64
11	B₂	776	746	38.31
12	B₂	471	453	1.89

Atom	y (Å)	z (Å)
C1	0.669	1.295
C2	-0.669	1.295
Br3	1.734	-0.285
Br4	-1.734	-0.285
H5	1.243	2.217
H6	-1.243	2.217

	C1	C2	Br3	Br4	H5	H6
C1		1.3378	1.9059	2.8762	1.0865	2.1228
C2	1.3378		2.8762	1.9059	2.1228	1.0865
Br3	1.9059	2.8762		3.4687	2.5504	3.8895
Br4	2.8762	1.9059	3.4687		3.8895	2.5504
H5	1.0865	2.1228	2.5504	3.8895		2.4861
H6	2.1228	1.0865	3.8895	2.5504	2.4861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.991	C1	C2	H6	121.900
C2	C1	Br3	123.991	C2	C1	H5	121.900
Br3	C1	H5	114.109	Br4	C2	H6	114.109

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: QCISD/3-21G*

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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