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	hartrees
Energy at 0K	-148.495117
Energy at 298.15K	-148.498149
HF Energy	-147.835906
Nuclear repulsion energy	65.562886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3299	11.48
2	A₁	2003	2003	47.43
3	A₁	1640	1640	1.89
4	A₁	1182	1182	3.33
5	A₂	1094	1094	0.00
6	B₁	3409	3409	25.83
7	B₁	1255	1255	7.05
8	B₂	1164	1164	24.63
9	B₂	982	982	28.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.787
N2	0.000	0.595	-0.529
N3	0.000	-0.595	-0.529
H4	0.923	0.000	1.341
H5	-0.923	0.000	1.341

	C1	N2	N3	H4	H5
C1		1.4445	1.4445	1.0767	1.0767
N2	1.4445		1.1908	2.1691	2.1691
N3	1.4445	1.1908		2.1691	2.1691
H4	1.0767	2.1691	2.1691		1.8461
H5	1.0767	2.1691	2.1691	1.8461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.656	C1	N3	N2	65.656
N2	C1	N3	48.687	N2	C1	H4	117.974
N2	C1	H5	117.974	N3	C1	H4	117.974
N3	C1	H5	117.974	H4	C1	H5	118.025

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)