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	hartrees
Energy at 0K	-148.615483
Energy at 298.15K	-148.617859
HF Energy	-147.959196
Nuclear repulsion energy	59.934113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3610	3499
2	A	1240	1202
3	A	909	881
4	A	715	693
5	A	529	513
6	B	3607	3496
7	B	2189	2122
8	B	898	870
9	B	534	517

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
N2	0.000	1.224	-0.083
N3	0.000	-1.224	-0.083
H4	0.621	1.763	0.504
H5	-0.621	-1.763	0.504

	C1	N2	N3	H4	H5
C1		1.2285	1.2285	1.9288	1.9288
N2	1.2285		2.4473	1.0099	3.1059
N3	1.2285	2.4473		3.1059	1.0099
H4	1.9288	1.0099	3.1059		3.7372
H5	1.9288	3.1059	1.0099	3.7372

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.693		C1	N3	H5	118.693
N2	C1	N3	169.853

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP4=FULL/aug-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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