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	hartrees
Energy at 0K	-186.524699
Energy at 298.15K
HF Energy	-185.750784
Nuclear repulsion energy	89.401311

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	3441	3441	0.00	583.44	0.29	0.45
2	A_g	2107	2107	0.00	5.78	0.75	0.85
3	A_g	1155	1155	0.00	32.25	0.62	0.77
4	A_g	921	921	0.00	29.08	0.16	0.28
5	A_g	307	307	0.00	4.44	0.22	0.36
6	A_u	959	959	118.69	0.00	0.75	0.86
7	A_u	249	249	0.00	0.00	0.75	0.86
8	B_g	676	676	0.00	2.81	0.75	0.86
9	B_u	3442	3442	30.05	0.00	0.30	0.46
10	B_u	1710	1710	99.76	0.00	0.28	0.44
11	B_u	1118	1118	396.03	0.00	0.00	0.00
12	B_u	283	283	6.76	0.00	0.22	0.36

Atom	x (Å)	y (Å)
C1	0.252	-0.599
C2	-0.252	0.599
N3	0.252	-1.849
N4	-0.252	1.849
H5	1.201	-2.228
H6	-1.201	2.228

	C1	C2	N3	N4	H5	H6
C1		1.3005	1.2493	2.4993	1.8846	3.1787
C2	1.3005		2.4993	1.2493	3.1787	1.8846
N3	1.2493	2.4993		3.7314	1.0213	4.3277
N4	2.4993	1.2493	3.7314		4.3277	1.0213
H5	1.8846	3.1787	1.0213	4.3277		5.0616
H6	3.1787	1.8846	4.3277	1.0213	5.0616

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.156		C1	N3	H5	111.805
C2	C1	N3	157.156		C2	N4	H6	111.805

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=FULL/Def2TZVPP

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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