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	hartrees
Energy at 0K	-148.338643
Energy at 298.15K	-148.340999
HF Energy	-147.891445
Nuclear repulsion energy	59.556194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3419	25.55
2	A	1267	1195	0.00
3	A	921	868	10.73
4	A	748	705	115.33
5	A	517	487	0.18
6	B	3626	3420	129.92
7	B	2244	2116	455.04
8	B	910	858	521.34
9	B	517	488	84.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.031
N2	0.000	1.228	-0.078
N3	0.000	-1.228	-0.078
H4	0.661	1.786	0.453
H5	-0.661	-1.786	0.453

	C1	N2	N3	H4	H5
C1		1.2326	1.2326	1.9509	1.9509
N2	1.2326		2.4556	1.0149	3.1310
N3	1.2326	2.4556		3.1310	1.0149
H4	1.9509	1.0149	3.1310		3.8094
H5	1.9509	3.1310	1.0149	3.8094

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	120.152		C1	N3	H5	120.152
N2	C1	N3	169.900

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/6-31G*

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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