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	hartrees
Energy at 0K	-148.493279
Energy at 298.15K	-148.496313
HF Energy	-147.836092
Nuclear repulsion energy	65.515048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3127	10.79
2	A₁	2001	1886	48.07
3	A₁	1654	1559	1.43
4	A₁	1181	1113	4.05
5	A₂	1097	1034	0.00
6	B₁	3428	3230	27.85
7	B₁	1262	1189	7.05
8	B₂	1176	1108	26.91
9	B₂	985	928	26.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.798
N2	0.000	0.623	-0.535
N3	0.000	-0.623	-0.535
H4	0.930	0.000	1.354
H5	-0.930	0.000	1.354

	C1	N2	N3	H4	H5
C1		1.4714	1.4714	1.0835	1.0835
N2	1.4714		1.2461	2.1957	2.1957
N3	1.4714	1.2461		2.1957	2.1957
H4	1.0835	2.1957	2.1957		1.8599
H5	1.0835	2.1957	2.1957	1.8599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.601	C1	N3	N2	65.601
N2	C1	N3	48.798	N2	C1	H4	118.016
N2	C1	H5	118.016	N3	C1	H4	118.016
N3	C1	H5	118.016	H4	C1	H5	117.901

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)