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	hartrees
Energy at 0K	-148.304106
Energy at 298.15K	-148.306989
HF Energy	-147.831231
Nuclear repulsion energy	63.853272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3029	4.58
2	A₁	1711	1630	20.18
3	A₁	1534	1461	3.01
4	A₁	1085	1033	2.24
5	A₂	1010	961	0.00
6	B₁	3293	3135	15.97
7	B₁	1168	1112	4.27
8	B₂	1045	995	34.24
9	B₂	866	824	13.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.804
N2	0.000	0.620	-0.538
N3	0.000	-0.620	-0.538
H4	0.934	0.000	1.356
H5	-0.934	0.000	1.356

	C1	N2	N3	H4	H5
C1		1.4782	1.4782	1.0854	1.0854
N2	1.4782		1.2396	2.2014	2.2014
N3	1.4782	1.2396		2.2014	2.2014
H4	1.0854	2.2014	2.2014		1.8685
H5	1.0854	2.2014	2.2014	1.8685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.209	C1	N3	N2	65.209
N2	C1	N3	49.582	N2	C1	H4	117.528
N2	C1	H5	117.528	N3	C1	H4	117.528
N3	C1	H5	117.528	H4	C1	H5	118.792

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)