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	hartrees
Energy at 0K	-186.514874
Energy at 298.15K
HF Energy	-185.746197
Nuclear repulsion energy	89.889475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3464	3284	0.00
2	A_g	2257	2140	0.00
3	A_g	1198	1136	0.00
4	A_g	943	895	0.00
5	A_g	296	281	0.00
6	A_u	980	929	122.18
7	A_u	263	250	0.16
8	B_g	665	631	0.00
9	B_u	3464	3284	11.21
10	B_u	1761	1670	144.64
11	B_u	1185	1124	352.92
12	B_u	296	281	8.13

Atom	x (Å)	y (Å)
C1	0.183	-0.616
C2	-0.183	0.616
N3	0.183	-1.857
N4	-0.183	1.857
H5	1.130	-2.232
H6	-1.130	2.232

	C1	C2	N3	N4	H5	H6
C1		1.2845	1.2414	2.4996	1.8731	3.1355
C2	1.2845		2.4996	1.2414	3.1355	1.8731
N3	1.2414	2.4996		3.7320	1.0185	4.2944
N4	2.4996	1.2414	3.7320		4.2944	1.0185
H5	1.8731	3.1355	1.0185	4.2944		5.0030
H6	3.1355	1.8731	4.2944	1.0185	5.0030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	163.435		C1	N3	H5	111.580
C2	C1	N3	163.435		C2	N4	H6	111.580

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CCSD=FULL/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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