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	hartrees
Energy at 0K	-148.326435
Energy at 298.15K	-148.329312
HF Energy	-147.844473
Nuclear repulsion energy	63.705815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3040	3.62
2	A₁	1714	1644	21.28
3	A₁	1496	1435	2.69
4	A₁	1072	1029	3.55
5	A₂	990	950	0.00
6	B₁	3288	3154	14.01
7	B₁	1137	1091	5.00
8	B₂	1020	978	27.63
9	B₂	858	823	15.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.808
N2	0.000	0.619	-0.541
N3	0.000	-0.619	-0.541
H4	0.942	0.000	1.362
H5	-0.942	0.000	1.362

	C1	N2	N3	H4	H5
C1		1.4834	1.4834	1.0935	1.0935
N2	1.4834		1.2375	2.2117	2.2117
N3	1.4834	1.2375		2.2117	2.2117
H4	1.0935	2.2117	2.2117		1.8850
H5	1.0935	2.2117	2.2117	1.8850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.349	C1	N3	N2	65.349
N2	C1	N3	49.302	N2	C1	H4	117.443
N2	C1	H5	117.443	N3	C1	H4	117.443
N3	C1	H5	117.443	H4	C1	H5	119.061

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)