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	hartrees
Energy at 0K	-148.522664
Energy at 298.15K	-148.525099
HF Energy	-147.963631
Nuclear repulsion energy	60.149496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3637	25.48
2	A	1274	1274	0.00
3	A	964	964	7.07
4	A	770	770	90.16
5	A	541	541	0.01
6	B	3635	3635	127.47
7	B	2210	2210	645.94
8	B	955	955	451.60
9	B	544	544	81.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.013
N2	0.000	1.221	-0.080
N3	0.000	-1.221	-0.080
H4	0.633	1.728	0.520
H5	-0.633	-1.728	0.520

	C1	N2	N3	H4	H5
C1		1.2243	1.2243	1.9088	1.9088
N2	1.2243		2.4416	1.0089	3.0750
N3	1.2243	2.4416		3.0750	1.0089
H4	1.9088	1.0089	3.0750		3.6804
H5	1.9088	3.0750	1.0089	3.6804

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.132		C1	N3	H5	117.132
N2	C1	N3	171.275

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/Def2TZVPP

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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