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	hartrees
Energy at 0K	-148.345280
Energy at 298.15K	-148.348134
HF Energy	-147.842506
Nuclear repulsion energy	63.393223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3154	3087
2	A₁	1654	1619
3	A₁	1477	1446
4	A₁	1042	1020
5	A₂	977	957
6	B₁	3274	3205
7	B₁	1123	1099
8	B₂	993	972
9	B₂	832	814

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.811
N2	0.000	0.623	-0.543
N3	0.000	-0.623	-0.543
H4	0.944	0.000	1.365
H5	-0.944	0.000	1.365

	C1	N2	N3	H4	H5
C1		1.4904	1.4904	1.0948	1.0948
N2	1.4904		1.2461	2.2179	2.2179
N3	1.4904	1.2461		2.2179	2.2179
H4	1.0948	2.2179	2.2179		1.8888
H5	1.0948	2.2179	2.2179	1.8888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.288	C1	N3	N2	65.288
N2	C1	N3	49.424	N2	C1	H4	117.354
N2	C1	H5	117.354	N3	C1	H4	117.354
N3	C1	H5	117.354	H4	C1	H5	119.230

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)