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	hartrees
Energy at 0K	-148.397565
Energy at 298.15K	-148.400007
HF Energy	-147.928582
Nuclear repulsion energy	60.067131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3630	3467	16.66
2	A	1286	1228	0.01
3	A	977	933	6.10
4	A	819	782	110.01
5	A	532	508	0.04
6	B	3629	3466	85.31
7	B	2246	2145	610.18
8	B	975	931	501.53
9	B	533	509	86.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.012
N2	0.000	1.222	-0.079
N3	0.000	-1.222	-0.079
H4	0.636	1.733	0.520
H5	-0.636	-1.733	0.520

	C1	N2	N3	H4	H5
C1		1.2255	1.2255	1.9142	1.9142
N2	1.2255		2.4442	1.0119	3.0811
N3	1.2255	2.4442		3.0811	1.0119
H4	1.9142	1.0119	3.0811		3.6909
H5	1.9142	3.0811	1.0119	3.6909

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.314		C1	N3	H5	117.314
N2	C1	N3	171.452

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/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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