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	hartrees
Energy at 0K	-148.490634
Energy at 298.15K	-148.493507
HF Energy	-147.884034
Nuclear repulsion energy	64.082397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3055	2.48
2	A₁	1601	1520	8.23
3	A₁	1507	1431	8.64
4	A₁	1032	980	7.00
5	A₂	1013	961	0.00
6	B₁	3331	3163	5.97
7	B₁	1165	1106	3.56
8	B₂	1026	974	30.55
9	B₂	838	795	11.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.796
N2	0.000	0.617	-0.533
N3	0.000	-0.617	-0.533
H4	0.923	0.000	1.344
H5	-0.923	0.000	1.344

	C1	N2	N3	H4	H5
C1		1.4655	1.4655	1.0737	1.0737
N2	1.4655		1.2330	2.1810	2.1810
N3	1.4655	1.2330		2.1810	2.1810
H4	1.0737	2.1810	2.1810		1.8470
H5	1.0737	2.1810	2.1810	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.122	C1	N3	N2	65.122
N2	C1	N3	49.756	N2	C1	H4	117.567
N2	C1	H5	117.567	N3	C1	H4	117.567
N3	C1	H5	117.567	H4	C1	H5	118.656

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)