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	hartrees
Energy at 0K	-148.645129
Energy at 298.15K	-148.647510
HF Energy	-147.968335
Nuclear repulsion energy	60.253626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3658	3501	32.19
2	A	1275	1220	0.01
3	A	889	851	11.66
4	A	710	680	92.16
5	A	540	517	0.63
6	B	3657	3501	190.85
7	B	2235	2139	607.13
8	B	879	841	472.19
9	B	545	522	101.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.216	-0.081
N3	0.000	-1.216	-0.081
H4	0.612	1.766	0.498
H5	-0.612	-1.766	0.498

	C1	N2	N3	H4	H5
C1		1.2210	1.2210	1.9279	1.9279
N2	1.2210		2.4329	1.0059	3.0989
N3	1.2210	2.4329		3.0989	1.0059
H4	1.9279	1.0059	3.0989		3.7375
H5	1.9279	3.0989	1.0059	3.7375

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.618		C1	N3	H5	119.618
N2	C1	N3	170.108

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=FULL/cc-pVQZ

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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