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	hartrees
Energy at 0K	-148.623250
Energy at 298.15K	-148.625595
HF Energy	-148.623250
Nuclear repulsion energy	60.730591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3098	15.72
2	A₁	2161	2070	304.91
3	A₁	1473	1411	32.73
4	A₁	1225	1173	0.00
5	B₁	640	613	185.44
6	B₁	539	516	4.79
7	B₂	3358	3216	0.16
8	B₂	1151	1102	1.55
9	B₂	418	400	0.10

Atom	y (Å)	z (Å)
C1	0.000	-1.146
N2	0.000	0.148
N3	0.000	1.309
H4	0.946	-1.665
H5	-0.946	-1.665

	C1	N2	N3	H4	H5
C1		1.2940	2.4547	1.0792	1.0792
N2	1.2940		1.1607	2.0451	2.0451
N3	2.4547	1.1607		3.1207	3.1207
H4	1.0792	2.0451	3.1207		1.8921
H5	1.0792	2.0451	3.1207	1.8921

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	118.757
N2	C1	H5	118.757		H4	C1	H5	122.486

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	C	-0.257
2	N	-0.063
3	N	-0.097
4	H	0.208
5	H	0.208

	x	y	z	Total
	0.000	0.000	-1.913	1.913
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CH₂NN (diazomethane)