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	hartrees
Energy at 0K	-5222.192728
Energy at 298.15K	-5222.200376
HF Energy	-5221.640103
Nuclear repulsion energy	425.443092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3111	0.93
2	A₁	1679	1591	26.13
3	A₁	1193	1131	2.39
4	A₁	600	569	7.56
5	A₁	111	105	0.05
6	A₂	911	864	0.00
7	A₂	380	360	0.00
8	B₁	702	665	57.96
9	B₂	3259	3090	13.12
10	B₂	1305	1237	43.14
11	B₂	778	738	49.42
12	B₂	480	455	1.69

Atom	y (Å)	z (Å)
C1	0.670	1.251
C2	-0.670	1.251
Br3	1.772	-0.277
Br4	-1.772	-0.277
H5	1.217	2.197
H6	-1.217	2.197

	C1	C2	Br3	Br4	H5	H6
C1		1.3402	1.8844	2.8809	1.0924	2.1109
C2	1.3402		2.8809	1.8844	2.1109	1.0924
Br3	1.8844	2.8809		3.5435	2.5356	3.8802
Br4	2.8809	1.8844	3.5435		3.8802	2.5356
H5	1.0924	2.1109	2.5356	3.8802		2.4346
H6	2.1109	1.0924	3.8802	2.5356	2.4346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.776	C1	C2	H6	120.063
C2	C1	Br3	125.776	C2	C1	H5	120.063
Br3	C1	H5	114.160	Br4	C2	H6	114.160

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

using model chemistry: MP3/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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