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	hartrees
Energy at 0K	-186.510597
Energy at 298.15K
HF Energy	-185.756728
Nuclear repulsion energy	89.359762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3443	3269	0.00	566.96	0.28	0.44
2	A_g	2091	1986	0.00	3.88	0.74	0.85
3	A_g	1149	1092	0.00	41.09	0.45	0.62
4	A_g	919	872	0.00	36.91	0.12	0.22
5	A_g	314	298	0.00	2.65	0.37	0.54
6	A_u	952	904	113.78	0.00	0.75	0.86
7	A_u	246	233	0.00	0.00	0.74	0.85
8	B_g	677	643	0.00	1.33	0.75	0.86
9	B_u	3443	3270	39.31	0.00	0.28	0.44
10	B_u	1704	1618	112.63	0.00	0.26	0.41
11	B_u	1111	1055	391.75	0.00	0.32	0.48
12	B_u	281	266	6.06	0.00	0.32	0.49

Atom	x (Å)	y (Å)
C1	0.264	-0.596
C2	-0.264	0.596
N3	0.264	-1.846
N4	-0.264	1.846
H5	1.210	-2.229
H6	-1.210	2.229

	C1	C2	N3	N4	H5	H6
C1		1.3025	1.2500	2.4974	1.8882	3.1862
C2	1.3025		2.4974	1.2500	3.1862	1.8882
N3	1.2500	2.4974		3.7286	1.0217	4.3332
N4	2.4974	1.2500	3.7286		4.3332	1.0217
H5	1.8882	3.1862	1.0217	4.3332		5.0732
H6	3.1862	1.8882	4.3332	1.0217	5.0732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.131		C1	N3	H5	112.051
C2	C1	N3	156.131		C2	N4	H6	112.051

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/aug-cc-pVQZ

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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