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	hartrees
Energy at 0K	-147.284904
Energy at 298.15K	-147.287533
HF Energy	-146.928560
Nuclear repulsion energy	60.032308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3079	0.11
2	A₁	1543	1468	0.18
3	A₁	1012	962	0.01
4	A₁	744	708	9.53
5	A₂	973	926	0.00
6	B₁	3380	3216	5.80
7	B₁	1099	1046	1.88
8	B₂	1012	963	38.92
9	B₂	609	580	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.863
N2	0.000	0.674	-0.568
N3	0.000	-0.674	-0.568
H4	0.943	0.000	1.383
H5	-0.943	0.000	1.383

	C1	N2	N3	H4	H5
C1		1.5818	1.5818	1.0768	1.0768
N2	1.5818		1.3489	2.2693	2.2693
N3	1.5818	1.3489		2.2693	2.2693
H4	1.0768	2.2693	2.2693		1.8856
H5	1.0768	2.2693	2.2693	1.8856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.762	C1	N3	N2	64.762
N2	C1	N3	50.476	N2	C1	H4	115.910
N2	C1	H5	115.910	N3	C1	H4	115.910
N3	C1	H5	115.910	H4	C1	H5	122.228

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/3-21G*

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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All results from a given calculation for CH2N2 (diazirine)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)