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	hartrees
Energy at 0K	-148.252061
Energy at 298.15K	-148.254983
HF Energy	-147.834123
Nuclear repulsion energy	64.481647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3008	5.01
2	A₁	1825	1689	26.88
3	A₁	1579	1462	2.26
4	A₁	1132	1048	2.60
5	A₂	1044	967	0.00
6	B₁	3362	3113	17.02
7	B₁	1202	1113	4.90
8	B₂	1097	1015	30.25
9	B₂	916	848	18.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.797
N2	0.000	0.612	-0.534
N3	0.000	-0.612	-0.534
H4	0.928	0.000	1.349
H5	-0.928	0.000	1.349

	C1	N2	N3	H4	H5
C1		1.4649	1.4649	1.0799	1.0799
N2	1.4649		1.2233	2.1866	2.1866
N3	1.4649	1.2233		2.1866	2.1866
H4	1.0799	2.1866	2.1866		1.8565
H5	1.0799	2.1866	2.1866	1.8565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.320	C1	N3	N2	65.320
N2	C1	N3	49.360	N2	C1	H4	117.667
N2	C1	H5	117.667	N3	C1	H4	117.667
N3	C1	H5	117.667	H4	C1	H5	118.537

All results from a given calculation for CH₂N₂ (diazirine)

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

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)