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	hartrees
Energy at 0K	-148.362926
Energy at 298.15K	-148.365301
HF Energy	-147.909889
Nuclear repulsion energy	59.353756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3604	3433	27.34
2	A	1248	1189	0.00
3	A	940	895	5.30
4	A	757	721	87.23
5	A	507	483	0.26
6	B	3606	3434	110.02
7	B	2215	2110	432.66
8	B	927	883	412.04
9	B	515	490	83.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
N2	0.000	1.237	-0.086
N3	0.000	-1.237	-0.086
H4	0.646	1.738	0.527
H5	-0.646	-1.738	0.527

	C1	N2	N3	H4	H5
C1		1.2420	1.2420	1.9206	1.9206
N2	1.2420		2.4738	1.0222	3.1053
N3	1.2420	2.4738		3.1053	1.0222
H4	1.9206	1.0222	3.1053		3.7083
H5	1.9206	3.1053	1.0222	3.7083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.707		C1	N3	H5	115.707
N2	C1	N3	169.625

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/cc-pVDZ

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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