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	hartrees
Energy at 0K	-148.458769
Energy at 298.15K	-148.461132
HF Energy	-147.946401
Nuclear repulsion energy	59.841529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3593	3461
2	A	1248	1202
3	A	909	875
4	A	768	740
5	A	510	491
6	B	3594	3462
7	B	2184	2104
8	B	898	865
9	B	508	489

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.226	-0.084
N3	0.000	-1.226	-0.084
H4	0.635	1.738	0.517
H5	-0.635	-1.738	0.517

	C1	N2	N3	H4	H5
C1		1.2312	1.2312	1.9149	1.9149
N2	1.2312		2.4527	1.0136	3.0907
N3	1.2312	2.4527		3.0907	1.0136
H4	1.9149	1.0136	3.0907		3.7007
H5	1.9149	3.0907	1.0136	3.7007

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.753		C1	N3	H5	116.753
N2	C1	N3	169.857

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)/TZVP

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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