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	hartrees
Energy at 0K	-147.285119
Energy at 298.15K	-147.287857
HF Energy	-146.941007
Nuclear repulsion energy	61.244148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3062	0.01
2	A₁	1538	1471	0.06
3	A₁	1300	1243	7.48
4	A₁	873	835	5.22
5	A₂	965	923	0.00
6	B₁	3334	3189	6.21
7	B₁	1096	1048	2.33
8	B₂	997	954	52.43
9	B₂	681	652	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.864
N2	0.000	0.642	-0.568
N3	0.000	-0.642	-0.568
H4	0.943	0.000	1.388
H5	-0.943	0.000	1.388

	C1	N2	N3	H4	H5
C1		1.5691	1.5691	1.0794	1.0794
N2	1.5691		1.2830	2.2648	2.2648
N3	1.5691	1.2830		2.2648	2.2648
H4	1.0794	2.2648	2.2648		1.8870
H5	1.0794	2.2648	2.2648	1.8870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.868	C1	N3	N2	65.868
N2	C1	N3	48.265	N2	C1	H4	116.319
N2	C1	H5	116.319	N3	C1	H4	116.319
N3	C1	H5	116.319	H4	C1	H5	121.866

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)