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	hartrees
Energy at 0K	-148.397980
Energy at 298.15K	-148.400845
HF Energy	-147.860645
Nuclear repulsion energy	63.747796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3027	2.77
2	A₁	1601	1516	7.29
3	A₁	1507	1427	9.61
4	A₁	1043	988	6.06
5	A₂	1014	960	0.00
6	B₁	3329	3153	10.67
7	B₁	1169	1107	3.84
8	B₂	1015	961	36.77
9	B₂	829	785	14.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.806
N2	0.000	0.623	-0.538
N3	0.000	-0.623	-0.538
H4	0.937	0.000	1.344
H5	-0.937	0.000	1.344

	C1	N2	N3	H4	H5
C1		1.4812	1.4812	1.0804	1.0804
N2	1.4812		1.2455	2.1926	2.1926
N3	1.4812	1.2455		2.1926	2.1926
H4	1.0804	2.1926	2.1926		1.8736
H5	1.0804	2.1926	2.1926	1.8736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.138	C1	N3	N2	65.138
N2	C1	N3	49.725	N2	C1	H4	116.869
N2	C1	H5	116.869	N3	C1	H4	116.869
N3	C1	H5	116.869	H4	C1	H5	120.248

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)