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	hartrees
Energy at 0K	-148.322151
Energy at 298.15K	-148.325049
HF Energy	-147.839008
Nuclear repulsion energy	64.032403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3041	4.39
2	A₁	1748	1647	19.99
3	A₁	1552	1462	1.89
4	A₁	1088	1025	3.44
5	A₂	1021	962	0.00
6	B₁	3345	3152	12.91
7	B₁	1172	1104	4.79
8	B₂	1070	1008	27.45
9	B₂	871	821	15.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.804
N2	0.000	0.617	-0.538
N3	0.000	-0.617	-0.538
H4	0.930	0.000	1.352
H5	-0.930	0.000	1.352

	C1	N2	N3	H4	H5
C1		1.4769	1.4769	1.0789	1.0789
N2	1.4769		1.2340	2.1943	2.1943
N3	1.4769	1.2340		2.1943	2.1943
H4	1.0789	2.1943	2.1943		1.8590
H5	1.0789	2.1943	2.1943	1.8590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	65.307	C1	N3	N2	65.307
N2	C1	N3	49.385	N2	C1	H4	117.465
N2	C1	H5	117.465	N3	C1	H4	117.465
N3	C1	H5	117.465	H4	C1	H5	118.988

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)