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	hartrees
Energy at 0K	-148.405774
Energy at 298.15K	-148.408141
HF Energy	-147.908613
Nuclear repulsion energy	59.126712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3570	3446
2	A	1214	1171
3	A	965	931
4	A	762	735
5	A	496	479
6	B	3573	3448
7	B	2168	2093
8	B	954	920
9	B	503	485

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.028
N2	0.000	1.242	-0.088
N3	0.000	-1.242	-0.088
H4	0.650	1.735	0.531
H5	-0.650	-1.735	0.531

	C1	N2	N3	H4	H5
C1		1.2478	1.2478	1.9202	1.9202
N2	1.2478		2.4849	1.0239	3.1101
N3	1.2478	2.4849		3.1101	1.0239
H4	1.9202	1.0239	3.1101		3.7060
H5	1.9202	3.1101	1.0239	3.7060

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.053		C1	N3	H5	115.053
N2	C1	N3	169.386

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP4=FULL/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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