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	hartrees
Energy at 0K	-148.529836
Energy at 298.15K	-148.532267
HF Energy	-147.960342
Nuclear repulsion energy	60.106962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3624	24.03
2	A	1270	1270	0.01
3	A	963	963	8.30
4	A	764	764	85.16
5	A	543	543	0.05
6	B	3623	3623	135.66
7	B	2198	2198	693.61
8	B	955	955	456.41
9	B	544	544	76.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.015
N2	0.000	1.221	-0.081
N3	0.000	-1.221	-0.081
H4	0.631	1.733	0.519
H5	-0.631	-1.733	0.519

	C1	N2	N3	H4	H5
C1		1.2250	1.2250	1.9122	1.9122
N2	1.2250		2.4425	1.0100	3.0801
N3	1.2250	2.4425		3.0801	1.0100
H4	1.9122	1.0100	3.0801		3.6892
H5	1.9122	3.0801	1.0100	3.6892

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.318		C1	N3	H5	117.318
N2	C1	N3	171.028

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/daug-cc-pVTZ

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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