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	hartrees
Energy at 0K	-185.656762
Energy at 298.15K
HF Energy	-185.656762
Nuclear repulsion energy	88.657047

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	3061	3061	0.00	1153.91	0.32	0.48
2	A_g	2239	2239	0.00	2.15	0.74	0.85
3	A_g	1147	1147	0.00	50.96	0.70	0.82
4	A_g	911	911	0.00	27.04	0.29	0.45
5	A_g	439	439	0.00	3.60	0.68	0.81
6	A_u	959	959	139.58	0.00	0.00	0.00
7	A_u	298	298	0.11	0.00	0.00	0.00
8	B_g	854	854	0.00	2.56	0.75	0.86
9	B_u	3056	3056	73.54	0.00	0.00	0.00
10	B_u	1708	1708	71.73	0.00	0.00	0.00
11	B_u	1139	1139	435.70	0.00	0.00	0.00
12	B_u	303	303	39.44	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.008	-0.641
C2	-0.008	0.641
N3	-0.008	-1.898
N4	0.008	1.898
H5	0.937	-2.359
H6	-0.937	2.359

	C1	C2	N3	N4	H5	H6
C1		1.2830	1.2571	2.5399	1.9527	3.1460
C2	1.2830		2.5399	1.2571	3.1460	1.9527
N3	1.2571	2.5399		3.7970	1.0516	4.3577
N4	2.5399	1.2571	3.7970		4.3577	1.0516
H5	1.9527	3.1460	1.0516	4.3577		5.0769
H6	3.1460	1.9527	4.3577	1.0516	5.0769

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.502		C1	N3	H5	115.224
C2	C1	N3	178.502		C2	N4	H6	115.224

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/3-21G*

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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Number	Element	Mulliken
1	C	0.423
2	C	0.423
3	N	-0.702
4	N	-0.702
5	H	0.279
6	H	0.279

	x	y	z
x	2.409	-1.192	0.000
y	-1.192	10.423	0.000
z	0.000	0.000	1.545

<r²>	82.135
(<r²>)^1/2	9.063