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	hartrees
Energy at 0K	-186.769605
Energy at 298.15K
HF Energy	-186.769605
Nuclear repulsion energy	89.301591

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	3309	3309	0.00	848.06	0.31	0.47
2	A_g	2039	2039	0.00	22.84	0.39	0.56
3	A_g	1157	1157	0.00	39.17	0.45	0.62
4	A_g	914	914	0.00	47.74	0.14	0.24
5	A_g	340	340	0.00	1.89	0.60	0.75
6	A_u	933	933	109.11	0.00	0.00	0.00
7	A_u	247	247	0.06	0.00	0.00	0.00
8	B_g	687	687	0.00	3.77	0.75	0.86
9	B_u	3309	3309	1.82	0.00	0.00	0.00
10	B_u	1708	1708	149.11	0.00	0.00	0.00
11	B_u	1112	1112	383.19	0.00	0.00	0.00
12	B_u	277	277	6.49	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.288	-0.588
C2	-0.288	0.588
N3	0.288	-1.837
N4	-0.288	1.837
H5	1.234	-2.236
H6	-1.234	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3098	1.2483	2.4924	1.9001	3.2081
C2	1.3098		2.4924	1.2483	3.2081	1.9001
N3	1.2483	2.4924		3.7182	1.0274	4.3476
N4	2.4924	1.2483	3.7182		4.3476	1.0274
H5	1.9001	3.2081	1.0274	4.3476		5.1078
H6	3.2081	1.9001	4.3476	1.0274	5.1078

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.951		C1	N3	H5	112.857
C2	C1	N3	153.951		C2	N4	H6	112.857

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/daug-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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Number	Element	Mulliken
1	C	0.506
2	C	0.506
3	N	-0.800
4	N	-0.800
5	H	0.293
6	H	0.293

	x	y	z
x	5.294	-2.227	0.000
y	-2.227	11.752	0.000
z	0.000	0.000	3.895

<r²>	80.518
(<r²>)^1/2	8.973