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	hartrees
Energy at 0K	-148.297112
Energy at 298.15K	-148.300037
HF Energy	-147.865953
Nuclear repulsion energy	64.718282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	2999	5.83
2	A₁	1845	1714	27.12
3	A₁	1567	1456	3.53
4	A₁	1124	1044	4.03
5	A₂	1043	969	0.00
6	B₁	3347	3109	16.93
7	B₁	1200	1115	5.01
8	B₂	1086	1009	28.27
9	B₂	914	849	25.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.798
N2	0.000	0.606	-0.534
N3	0.000	-0.606	-0.534
H4	0.930	0.000	1.345
H5	-0.930	0.000	1.345

	C1	N2	N3	H4	H5
C1		1.4638	1.4638	1.0783	1.0783
N2	1.4638		1.2123	2.1821	2.1821
N3	1.4638	1.2123		2.1821	2.1821
H4	1.0783	2.1821	2.1821		1.8594
H5	1.0783	2.1821	2.1821	1.8594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.537	C1	N3	N2	65.537
N2	C1	N3	48.925	N2	C1	H4	117.463
N2	C1	H5	117.463	N3	C1	H4	117.463
N3	C1	H5	117.463	H4	C1	H5	119.117

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CID/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: CID/6-311G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)