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	hartrees
Energy at 0K	-186.460134
Energy at 298.15K
HF Energy	-185.745101
Nuclear repulsion energy	89.181972

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	3433	3272	0.00	564.92	0.28	0.44
2	A_g	2079	1981	0.00	4.09	0.73	0.84
3	A_g	1148	1094	0.00	41.46	0.46	0.63
4	A_g	916	873	0.00	36.52	0.12	0.21
5	A_g	330	315	0.00	2.56	0.37	0.54
6	A_u	948	903	112.59	0.00	0.75	0.86
7	A_u	246	234	0.00	0.00	0.75	0.86
8	B_g	683	651	0.00	1.41	0.75	0.86
9	B_u	3434	3272	37.76	0.00	0.28	0.44
10	B_u	1700	1619	110.06	0.00	0.00	0.00
11	B_u	1109	1057	392.50	0.00	0.36	0.53
12	B_u	281	268	6.08	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.273	-0.594
C2	-0.273	0.594
N3	0.273	-1.846
N4	-0.273	1.846
H5	1.223	-2.228
H6	-1.223	2.228

	C1	C2	N3	N4	H5	H6
C1		1.3069	1.2528	2.5005	1.8898	3.1932
C2	1.3069		2.5005	1.2528	3.1932	1.8898
N3	1.2528	2.5005		3.7331	1.0233	4.3399
N4	2.5005	1.2528	3.7331		4.3399	1.0233
H5	1.8898	3.1932	1.0233	4.3399		5.0821
H6	3.1932	1.8898	4.3399	1.0233	5.0821

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.319		C1	N3	H5	111.866
C2	C1	N3	155.319		C2	N4	H6	111.866

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/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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