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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
2	1	yes	C2V	³B₁

	hartrees
Energy at 0K	-5182.910197
Energy at 298.15K	-5182.915189
HF Energy	-5182.490955
Nuclear repulsion energy	323.448804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	598	576
2	A₁	194	187
3	B₂	635	611

Atom	y (Å)	z (Å)
C1	0.000	1.002
Br2	1.567	-0.086
Br3	-1.567	-0.086

	C1	Br2	Br3
C1		1.9070	1.9070
Br2	1.9070		3.1330
Br3	1.9070	3.1330

All results from a given calculation for CBr₂ (dibromomethylene)

using model chemistry: CCSD(T)/6-311G*

States and conformations

State 1 (¹A₁)

State 2 (³B₁)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-5182.888825
Energy at 298.15K	-5182.893852
HF Energy	-5182.509061
Nuclear repulsion energy	314.274718

	C1	Br2	Br3
C1		1.8472	1.8472
Br2	1.8472		3.3421
Br3	1.8472	3.3421

All results from a given calculation for CBr2 (dibromomethylene)

using model chemistry: CCSD(T)/6-311G*

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for CBr₂ (dibromomethylene)

State 1 (¹A₁)

State 2 (³B₁)