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	hartrees
Energy at 0K	-148.300220
Energy at 298.15K	-148.303090
HF Energy	-147.828555
Nuclear repulsion energy	63.577161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3033	2.17
2	A₁	1604	1511	5.62
3	A₁	1511	1423	9.81
4	A₁	1058	997	3.96
5	A₂	1021	962	0.00
6	B₁	3344	3150	11.33
7	B₁	1176	1108	3.77
8	B₂	1040	980	32.85
9	B₂	837	789	10.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.798
N2	0.000	0.623	-0.535
N3	0.000	-0.623	-0.535
H4	0.930	0.000	1.354
H5	-0.930	0.000	1.354

	C1	N2	N3	H4	H5
C1		1.4714	1.4714	1.0835	1.0835
N2	1.4714		1.2461	2.1957	2.1957
N3	1.4714	1.2461		2.1957	2.1957
H4	1.0835	2.1957	2.1957		1.8599
H5	1.0835	2.1957	2.1957	1.8599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	64.947	C1	N3	N2	64.947
N2	C1	N3	50.107	N2	C1	H4	117.705
N2	C1	H5	117.705	N3	C1	H4	117.705
N3	C1	H5	117.705	H4	C1	H5	118.244

All results from a given calculation for CH₂N₂ (diazirine)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂N₂ (diazirine)