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	hartrees
Energy at 0K	-148.320357
Energy at 298.15K	-148.323250
HF Energy	-147.834948
Nuclear repulsion energy	63.925290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3030	5.19
2	A₁	1716	1615	21.10
3	A₁	1547	1456	2.23
4	A₁	1085	1022	2.48
5	A₂	1017	958	0.00
6	B₁	3335	3139	17.19
7	B₁	1170	1101	5.14
8	B₂	1056	994	30.29
9	B₂	870	819	11.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.803
N2	0.000	0.620	-0.538
N3	0.000	-0.620	-0.538
H4	0.929	0.000	1.353
H5	-0.929	0.000	1.353

	C1	N2	N3	H4	H5
C1		1.4773	1.4773	1.0794	1.0794
N2	1.4773		1.2394	2.1959	2.1959
N3	1.4773	1.2394		2.1959	2.1959
H4	1.0794	2.1959	2.1959		1.8578
H5	1.0794	2.1959	2.1959	1.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.199	C1	N3	N2	65.199
N2	C1	N3	49.602	N2	C1	H4	117.539
N2	C1	H5	117.539	N3	C1	H4	117.539
N3	C1	H5	117.539	H4	C1	H5	118.761

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)