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	hartrees
Energy at 0K	-186.327139
Energy at 298.15K
HF Energy	-185.703649
Nuclear repulsion energy	88.715622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3466	3466	0.00
2	A_g	2111	2111	0.00
3	A_g	1196	1196	0.00
4	A_g	931	931	0.00
5	A_g	327	327	0.00
6	A_u	958	958	117.50
7	A_u	243	243	0.01
8	B_g	686	686	0.00
9	B_u	3466	3466	22.19
10	B_u	1750	1750	156.05
11	B_u	1161	1161	369.46
12	B_u	282	282	5.32

Atom	x (Å)	y (Å)
C1	0.293	-0.595
C2	-0.293	0.595
N3	0.293	-1.851
N4	-0.293	1.851
H5	1.252	-2.220
H6	-1.252	2.220

	C1	C2	N3	N4	H5	H6
C1		1.3261	1.2560	2.5146	1.8866	3.2106
C2	1.3261		2.5146	1.2560	3.2106	1.8866
N3	1.2560	2.5146		3.7474	1.0271	4.3537
N4	2.5146	1.2560	3.7474		4.3537	1.0271
H5	1.8866	3.2106	1.0271	4.3537		5.0967
H6	3.2106	1.8866	4.3537	1.0271	5.0967

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.734		C1	N3	H5	111.057
C2	C1	N3	153.734		C2	N4	H6	111.057

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP3=FULL/aug-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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