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	hartrees
Energy at 0K	-148.426281
Energy at 298.15K	-148.428624
HF Energy	-147.947043
Nuclear repulsion energy	59.982958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3453	26.87
2	A	1266	1200	0.01
3	A	860	815	4.55
4	A	730	692	111.22
5	A	522	495	0.44
6	B	3643	3453	154.53
7	B	2227	2111	574.62
8	B	846	802	477.78
9	B	524	497	107.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.028
N2	0.000	1.222	-0.084
N3	0.000	-1.222	-0.084
H4	0.622	1.762	0.503
H5	-0.622	-1.762	0.503

	C1	N2	N3	H4	H5
C1		1.2272	1.2272	1.9276	1.9276
N2	1.2272		2.4441	1.0108	3.1039
N3	1.2272	2.4441		3.1039	1.0108
H4	1.9276	1.0108	3.1039		3.7366
H5	1.9276	3.1039	1.0108	3.7366

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.611		C1	N3	H5	118.611
N2	C1	N3	169.527

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/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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