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	hartrees
Energy at 0K	-148.135056
Energy at 298.15K	-148.137316
HF Energy	-147.809547
Nuclear repulsion energy	58.987904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3473	12.91
2	A	1238	1176	0.25
3	A	850	807	32.72
4	A	688	654	163.16
5	A	509	484	0.99
6	B	3658	3476	175.90
7	B	2215	2105	422.52
8	B	826	785	713.81
9	B	479	455	59.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.062
N2	0.000	1.238	-0.085
N3	0.000	-1.238	-0.085
H4	0.563	1.921	0.409
H5	-0.563	-1.921	0.409

	C1	N2	N3	H4	H5
C1		1.2464	1.2464	2.0312	2.0312
N2	1.2464		2.4754	1.0135	3.2459
N3	1.2464	2.4754		3.2459	1.0135
H4	2.0312	1.0135	3.2459		4.0030
H5	2.0312	3.2459	1.0135	4.0030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.698		C1	N3	H5	127.698
N2	C1	N3	166.415

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=FULL/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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