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	hartrees
Energy at 0K	-148.052920
Energy at 298.15K	-148.055654
HF Energy	-147.700034
Nuclear repulsion energy	61.292814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3091	0.00
2	A₁	1553	1485	0.21
3	A₁	1212	1159	5.20
4	A₁	851	814	8.33
5	A₂	988	945	0.00
6	B₁	3372	3227	9.06
7	B₁	1139	1090	2.57
8	B₂	1054	1008	38.32
9	B₂	660	631	4.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.845
N2	0.000	0.654	-0.559
N3	0.000	-0.654	-0.559
H4	0.940	0.000	1.377
H5	-0.940	0.000	1.377

	C1	N2	N3	H4	H5
C1		1.5480	1.5480	1.0804	1.0804
N2	1.5480		1.3076	2.2489	2.2489
N3	1.5480	1.3076		2.2489	2.2489
H4	1.0804	2.2489	2.2489		1.8803
H5	1.0804	2.2489	2.2489	1.8803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.017	C1	N3	N2	65.017
N2	C1	N3	49.965	N2	C1	H4	116.526
N2	C1	H5	116.526	N3	C1	H4	116.526
N3	C1	H5	116.526	H4	C1	H5	120.963

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)