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	hartrees
Energy at 0K	-148.456620
Energy at 298.15K	-148.459101
HF Energy	-147.965089
Nuclear repulsion energy	60.679229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3736	3736	32.45
2	A	1334	1334	0.03
3	A	972	972	10.95
4	A	787	787	97.99
5	A	565	565	0.01
6	B	3732	3732	175.85
7	B	2285	2285	814.34
8	B	963	963	466.98
9	B	569	569	100.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.005
N2	0.000	1.210	-0.076
N3	0.000	-1.210	-0.076
H4	0.626	1.719	0.519
H5	-0.626	-1.719	0.519

	C1	N2	N3	H4	H5
C1		1.2126	1.2126	1.8997	1.8997
N2	1.2126		2.4198	1.0021	3.0532
N3	1.2126	2.4198		3.0532	1.0021
H4	1.8997	1.0021	3.0532		3.6581
H5	1.8997	3.0532	1.0021	3.6581

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.824		C1	N3	H5	117.824
N2	C1	N3	172.291

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CID/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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