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	hartrees
Energy at 0K	-148.295238
Energy at 298.15K	-148.298139
HF Energy	-147.832702
Nuclear repulsion energy	64.083252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3016	3.61
2	A₁	1796	1686	20.96
3	A₁	1552	1457	2.08
4	A₁	1100	1033	2.03
5	A₂	1023	960	0.00
6	B₁	3327	3123	14.32
7	B₁	1179	1107	4.29
8	B₂	1068	1003	27.78
9	B₂	890	836	18.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.804
N2	0.000	0.615	-0.538
N3	0.000	-0.615	-0.538
H4	0.932	0.000	1.355
H5	-0.932	0.000	1.355

	C1	N2	N3	H4	H5
C1		1.4762	1.4762	1.0831	1.0831
N2	1.4762		1.2298	2.1981	2.1981
N3	1.4762	1.2298		2.1981	2.1981
H4	1.0831	2.1981	2.1981		1.8646
H5	1.0831	2.1981	2.1981	1.8646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.383	C1	N3	N2	65.383
N2	C1	N3	49.234	N2	C1	H4	117.560
N2	C1	H5	117.560	N3	C1	H4	117.560
N3	C1	H5	117.560	H4	C1	H5	118.814

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)