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	hartrees
Energy at 0K	-148.588895
Energy at 298.15K	-148.591305
HF Energy	-147.956792
Nuclear repulsion energy	60.074020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3617	3461
2	A	1263	1208
3	A	942	901
4	A	755	722
5	A	532	509
6	B	3617	3461
7	B	2212	2116
8	B	933	893
9	B	531	508

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.018
N2	0.000	1.222	-0.082
N3	0.000	-1.222	-0.082
H4	0.628	1.739	0.516
H5	-0.628	-1.739	0.516

	C1	N2	N3	H4	H5
C1		1.2259	1.2259	1.9144	1.9144
N2	1.2259		2.4437	1.0091	3.0848
N3	1.2259	2.4437		3.0848	1.0091
H4	1.9144	1.0091	3.0848		3.6973
H5	1.9144	3.0848	1.0091	3.6973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.535		C1	N3	H5	117.535
N2	C1	N3	170.658

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)=FULL/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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