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	hartrees
Energy at 0K	-148.705292
Energy at 298.15K	-148.707516
HF Energy	-148.705292
Nuclear repulsion energy	61.230305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3077	16.24
2	A₁	2235	2141	433.07
3	A₁	1425	1365	36.15
4	A₁	1228	1177	2.61
5	B₁	574	550	10.68
6	B₁	425	407	125.25
7	B₂	3350	3209	3.12
8	B₂	1099	1053	2.63
9	B₂	423	405	0.14

Atom	y (Å)	z (Å)
C1	0.000	-1.140
N2	0.000	0.154
N3	0.000	1.294
H4	0.958	-1.644
H5	-0.958	-1.644

	C1	N2	N3	H4	H5
C1		1.2941	2.4340	1.0824	1.0824
N2	1.2941		1.1398	2.0373	2.0373
N3	2.4340	1.1398		3.0901	3.0901
H4	1.0824	2.0373	3.0901		1.9159
H5	1.0824	2.0373	3.0901	1.9159

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	N3	180.000		N2	C1	H4	117.746
N2	C1	H5	117.746		H4	C1	H5	124.508

All results from a given calculation for CH₂NN (diazomethane)

using model chemistry: B1B95/aug-cc-pVDZ

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	0.666
2	N	0.403
3	N	-0.443
4	H	-0.313
5	H	-0.313

	x	y	z	Total
	0.000	0.000	-1.655	1.655
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NN (diazomethane)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NN (diazomethane)