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	hartrees
Energy at 0K	-148.018804
Energy at 298.15K	-148.021657
HF Energy	-147.712525
Nuclear repulsion energy	62.859131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3047	0.11
2	A₁	1663	1555	14.17
3	A₁	1549	1449	8.90
4	A₁	988	924	3.74
5	A₂	1014	948	0.00
6	B₁	3386	3167	10.78
7	B₁	1170	1094	3.28
8	B₂	1091	1021	50.23
9	B₂	782	732	8.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.833
N2	0.000	0.623	-0.553
N3	0.000	-0.623	-0.553
H4	0.933	0.000	1.373
H5	-0.933	0.000	1.373

	C1	N2	N3	H4	H5
C1		1.5203	1.5203	1.0777	1.0777
N2	1.5203		1.2467	2.2292	2.2292
N3	1.5203	1.2467		2.2292	2.2292
H4	1.0777	2.2292	2.2292		1.8659
H5	1.0777	2.2292	2.2292	1.8659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.795	C1	N3	N2	65.795
N2	C1	N3	48.410	N2	C1	H4	117.169
N2	C1	H5	117.169	N3	C1	H4	117.169
N3	C1	H5	117.169	H4	C1	H5	119.917

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CID/6-31G

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: CID/6-31G

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)