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	hartrees
Energy at 0K	-26.146278
Energy at 298.15K	-26.149015
HF Energy	-25.788903
Nuclear repulsion energy	32.179011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	3053	1.95
2	A₁	1504	1468	0.40
3	A₁	1174	1146	2.25
4	A₁	836	816	9.79
5	A₂	973	950	0.00
6	B₁	3289	3210	16.13
7	B₁	1118	1091	2.68
8	B₂	1063	1038	23.76
9	B₂	666	650	12.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.853
N2	0.000	0.673	-0.563
N3	0.000	-0.673	-0.563
H4	0.949	0.000	1.381
H5	-0.949	0.000	1.381

	C1	N2	N3	H4	H5
C1		1.5675	1.5675	1.0861	1.0861
N2	1.5675		1.3462	2.2652	2.2652
N3	1.5675	1.3462		2.2652	2.2652
H4	1.0861	2.2652	2.2652		1.8984
H5	1.0861	2.2652	2.2652	1.8984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.570	C1	N3	N2	64.570
N2	C1	N3	50.861	N2	C1	H4	116.036
N2	C1	H5	116.036	N3	C1	H4	116.036
N3	C1	H5	116.036	H4	C1	H5	121.841

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)