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	hartrees
Energy at 0K	-148.315034
Energy at 298.15K	-148.317938
HF Energy	-147.835774
Nuclear repulsion energy	64.069548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3026	4.66
2	A₁	1751	1642	20.27
3	A₁	1555	1458	1.74
4	A₁	1100	1031	2.53
5	A₂	1027	963	0.00
6	B₁	3345	3136	16.90
7	B₁	1176	1102	5.34
8	B₂	1075	1008	24.59
9	B₂	885	830	13.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.802
N2	0.000	0.617	-0.537
N3	0.000	-0.617	-0.537
H4	0.928	0.000	1.352
H5	-0.928	0.000	1.352

	C1	N2	N3	H4	H5
C1		1.4747	1.4747	1.0789	1.0789
N2	1.4747		1.2347	2.1935	2.1935
N3	1.4747	1.2347		2.1935	2.1935
H4	1.0789	2.1935	2.1935		1.8566
H5	1.0789	2.1935	2.1935	1.8566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.251	C1	N3	N2	65.251
N2	C1	N3	49.497	N2	C1	H4	117.570
N2	C1	H5	117.570	N3	C1	H4	117.570
N3	C1	H5	117.570	H4	C1	H5	118.721

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)