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	hartrees
Energy at 0K	-146.150971
Energy at 298.15K	-146.153200
HF Energy	-145.940333
Nuclear repulsion energy	57.510844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3610	3209	0.01
2	A	1197	1064	2.11
3	A	1086	965	0.07
4	A	904	803	47.85
5	A	463	412	0.31
6	B	3624	3222	22.18
7	B	2202	1958	82.00
8	B	1043	927	328.51
9	B	466	414	56.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.085
N2	0.000	1.270	-0.113
N3	0.000	-1.270	-0.113
H4	0.695	1.754	0.534
H5	-0.695	-1.754	0.534

	C1	N2	N3	H4	H5
C1		1.2848	1.2848	1.9396	1.9396
N2	1.2848		2.5392	1.0660	3.1691
N3	1.2848	2.5392		3.1691	1.0660
H4	1.9396	1.0660	3.1691		3.7735
H5	1.9396	3.1691	1.0660	3.7735

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	110.849		C1	N3	H5	110.849
N2	C1	N3	162.353

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=FULL/STO-3G

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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