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	hartrees
Energy at 0K	-148.517260
Energy at 298.15K	-148.519700
HF Energy	-147.957078
Nuclear repulsion energy	60.128034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3630	3468	24.33
2	A	1271	1214	0.00
3	A	968	925	7.02
4	A	776	741	87.79
5	A	539	515	0.00
6	B	3629	3467	117.77
7	B	2214	2115	614.07
8	B	959	916	448.89
9	B	539	515	79.36

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	0.635	1.723	0.523
H5	-0.635	-1.723	0.523

	C1	N2	N3	H4	H5
C1		1.2250	1.2250	1.9060	1.9060
N2	1.2250		2.4429	1.0094	3.0721
N3	1.2250	2.4429		3.0721	1.0094
H4	1.9060	1.0094	3.0721		3.6725
H5	1.9060	3.0721	1.0094	3.6725

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.760		C1	N3	H5	116.760
N2	C1	N3	171.312

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/cc-pVTZ

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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