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	hartrees
Energy at 0K	-148.069310
Energy at 298.15K	-148.072006
HF Energy	-147.719204
Nuclear repulsion energy	60.299219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3058	4.06
2	A₁	1512	1456	0.52
3	A₁	1158	1116	2.55
4	A₁	825	795	13.79
5	A₂	959	924	0.00
6	B₁	3332	3209	14.21
7	B₁	1117	1076	1.84
8	B₂	1037	998	30.65
9	B₂	643	619	8.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.856
N2	0.000	0.669	-0.565
N3	0.000	-0.669	-0.565
H4	0.948	0.000	1.390
H5	-0.948	0.000	1.390

	C1	N2	N3	H4	H5
C1		1.5710	1.5710	1.0885	1.0885
N2	1.5710		1.3382	2.2741	2.2741
N3	1.5710	1.3382		2.2741	2.2741
H4	1.0885	2.2741	2.2741		1.8968
H5	1.0885	2.2741	2.2741	1.8968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.792	C1	N3	N2	64.792
N2	C1	N3	50.416	N2	C1	H4	116.364
N2	C1	H5	116.364	N3	C1	H4	116.364
N3	C1	H5	116.364	H4	C1	H5	121.212

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)