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	hartrees
Energy at 0K	-148.300583
Energy at 298.15K	-148.303503
HF Energy	-147.865753
Nuclear repulsion energy	64.659109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	2984	6.16
2	A₁	1831	1694	27.46
3	A₁	1566	1449	3.55
4	A₁	1118	1035	4.05
5	A₂	1040	963	0.00
6	B₁	3343	3093	17.43
7	B₁	1198	1109	4.98
8	B₂	1080	1000	30.01
9	B₂	909	841	24.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.799
N2	0.000	0.607	-0.534
N3	0.000	-0.607	-0.534
H4	0.930	0.000	1.345
H5	-0.930	0.000	1.345

	C1	N2	N3	H4	H5
C1		1.4649	1.4649	1.0785	1.0785
N2	1.4649		1.2142	2.1832	2.1832
N3	1.4649	1.2142		2.1832	2.1832
H4	1.0785	2.1832	2.1832		1.8596
H5	1.0785	2.1832	2.1832	1.8596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.516	C1	N3	N2	65.516
N2	C1	N3	48.967	N2	C1	H4	117.461
N2	C1	H5	117.461	N3	C1	H4	117.461
N3	C1	H5	117.461	H4	C1	H5	119.111

All results from a given calculation for CH₂N₂ (diazirine)

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

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)