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	hartrees
Energy at 0K	-148.702821
Energy at 298.15K	-148.705217
HF Energy	-148.525184
Nuclear repulsion energy	60.050113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3618	26.67
2	A	1269	1269	0.01
3	A	925	925	8.10
4	A	737	737	100.88
5	A	531	531	0.22
6	B	3617	3617	117.44
7	B	2226	2226	536.29
8	B	919	919	446.93
9	B	535	535	79.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.020
N2	0.000	1.221	-0.081
N3	0.000	-1.221	-0.081
H4	0.627	1.754	0.508
H5	-0.627	-1.754	0.508

	C1	N2	N3	H4	H5
C1		1.2253	1.2253	1.9254	1.9254
N2	1.2253		2.4423	1.0116	3.0969
N3	1.2253	2.4423		3.0969	1.0116
H4	1.9254	1.0116	3.0969		3.7251
H5	1.9254	3.0969	1.0116	3.7251

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.486		C1	N3	H5	118.486
N2	C1	N3	170.534

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULL/6-311G**

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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