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	hartrees
Energy at 0K	-148.309778
Energy at 298.15K	-148.312636
HF Energy	-147.841428
Nuclear repulsion energy	63.360689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3042	1.86
2	A₁	1586	1510	9.02
3	A₁	1476	1406	6.31
4	A₁	1040	990	6.22
5	A₂	995	947	0.00
6	B₁	3327	3169	10.05
7	B₁	1138	1084	4.36
8	B₂	1000	953	27.93
9	B₂	828	788	12.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.809
N2	0.000	0.627	-0.540
N3	0.000	-0.627	-0.540
H4	0.944	0.000	1.356
H5	-0.944	0.000	1.356

	C1	N2	N3	H4	H5
C1		1.4876	1.4876	1.0912	1.0912
N2	1.4876		1.2544	2.2089	2.2089
N3	1.4876	1.2544		2.2089	2.2089
H4	1.0912	2.2089	2.2089		1.8884
H5	1.0912	2.2089	2.2089	1.8884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.064	C1	N3	N2	65.064
N2	C1	N3	49.872	N2	C1	H4	117.034
N2	C1	H5	117.034	N3	C1	H4	117.034
N3	C1	H5	117.034	H4	C1	H5	119.836

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)