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	hartrees
Energy at 0K	-26.385220
Energy at 298.15K	-26.388067
HF Energy	-25.914844
Nuclear repulsion energy	33.503448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3032	4.90
2	A₁	1560	1487	2.58
3	A₁	1458	1390	11.15
4	A₁	1020	972	5.89
5	A₂	1002	954	0.00
6	B₁	3322	3165	14.80
7	B₁	1153	1098	3.56
8	B₂	1013	965	32.18
9	B₂	810	771	14.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.815
N2	0.000	0.636	-0.543
N3	0.000	-0.636	-0.543
H4	0.940	0.000	1.354
H5	-0.940	0.000	1.354

	C1	N2	N3	H4	H5
C1		1.4989	1.4989	1.0836	1.0836
N2	1.4989		1.2715	2.2102	2.2102
N3	1.4989	1.2715		2.2102	2.2102
H4	1.0836	2.2102	2.2102		1.8795
H5	1.0836	2.2102	2.2102	1.8795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.902	C1	N3	N2	64.902
N2	C1	N3	50.195	N2	C1	H4	116.795
N2	C1	H5	116.795	N3	C1	H4	116.795
N3	C1	H5	116.795	H4	C1	H5	120.291

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)