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	hartrees
Energy at 0K	-148.398865
Energy at 298.15K	-148.401247
HF Energy	-147.923386
Nuclear repulsion energy	59.309014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3597	3597	24.27
2	A	1237	1237	0.06
3	A	925	925	7.61
4	A	725	725	84.70
5	A	521	521	0.33
6	B	3597	3597	155.19
7	B	2174	2174	590.87
8	B	916	916	446.05
9	B	529	529	81.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.030
N2	0.000	1.237	-0.087
N3	0.000	-1.237	-0.087
H4	0.631	1.765	0.515
H5	-0.631	-1.765	0.515

	C1	N2	N3	H4	H5
C1		1.2426	1.2426	1.9360	1.9360
N2	1.2426		2.4743	1.0195	3.1260
N3	1.2426	2.4743		3.1260	1.0195
H4	1.9360	1.0195	3.1260		3.7484
H5	1.9360	3.1260	1.0195	3.7484

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.366		C1	N3	H5	117.366
N2	C1	N3	169.230

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/daug-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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