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	hartrees
Energy at 0K	-5196.834526
Energy at 298.15K	-5196.842166
HF Energy	-5196.546550
Nuclear repulsion energy	417.005665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3132	3.05
2	A₁	1658	1607	19.83
3	A₁	1223	1186	2.84
4	A₁	546	529	6.48
5	A₁	111	107	0.02
6	A₂	1005	974	0.00
7	A₂	395	383	0.00
8	B₁	746	723	76.95
9	B₂	3205	3106	6.32
10	B₂	1342	1301	52.69
11	B₂	746	723	40.51
12	B₂	464	450	2.03

Atom	y (Å)	z (Å)
C1	0.664	1.288
C2	-0.664	1.288
Br3	1.806	-0.284
Br4	-1.806	-0.284
H5	1.222	2.218
H6	-1.222	2.218

	C1	C2	Br3	Br4	H5	H6
C1		1.3290	1.9428	2.9284	1.0849	2.1035
C2	1.3290		2.9284	1.9428	2.1035	1.0849
Br3	1.9428	2.9284		3.6125	2.5700	3.9285
Br4	2.9284	1.9428	3.6125		3.9285	2.5700
H5	1.0849	2.1035	2.5700	3.9285		2.4438
H6	2.1035	1.0849	3.9285	2.5700	2.4438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.992	C1	C2	H6	120.919
C2	C1	Br3	125.992	C2	C1	H5	120.919
Br3	C1	H5	113.089	Br4	C2	H6	113.089

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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