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	hartrees
Energy at 0K	-148.691160
Energy at 298.15K	-148.693568
HF Energy	-148.516975
Nuclear repulsion energy	60.046631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3625	19.18
2	A	1270	1270	0.01
3	A	942	942	10.99
4	A	745	745	114.49
5	A	537	537	0.39
6	B	3625	3625	95.21
7	B	2229	2229	534.74
8	B	939	939	495.35
9	B	540	540	79.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
N2	0.000	1.221	-0.080
N3	0.000	-1.221	-0.080
H4	0.621	1.769	0.498
H5	-0.621	-1.769	0.498

	C1	N2	N3	H4	H5
C1		1.2250	1.2250	1.9348	1.9348
N2	1.2250		2.4415	1.0104	3.1082
N3	1.2250	2.4415		3.1082	1.0104
H4	1.9348	1.0104	3.1082		3.7501
H5	1.9348	3.1082	1.0104	3.7501

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.576		C1	N3	H5	119.576
N2	C1	N3	170.475

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULL/6-311G*

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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