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	hartrees
Energy at 0K	-186.665046
Energy at 298.15K
HF Energy	-186.665046
Nuclear repulsion energy	89.138528

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	3297	3297	0.00	779.72	0.32	0.49
2	A_g	2064	2064	0.00	23.49	0.39	0.56
3	A_g	1135	1135	0.00	34.76	0.53	0.69
4	A_g	915	915	0.00	49.42	0.16	0.27
5	A_g	329	329	0.00	2.13	0.50	0.66
6	A_u	928	928	109.45	0.00	0.00	0.00
7	A_u	245	245	0.08	0.00	0.00	0.00
8	B_g	676	676	0.00	3.72	0.75	0.86
9	B_u	3297	3297	3.00	0.00	0.00	0.00
10	B_u	1710	1710	145.96	0.00	0.00	0.00
11	B_u	1093	1093	365.53	0.00	0.00	0.00
12	B_u	274	274	6.61	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.273	-0.594
C2	-0.273	0.594
N3	0.273	-1.845
N4	-0.273	1.845
H5	1.225	-2.246
H6	-1.225	2.246

	C1	C2	N3	N4	H5	H6
C1		1.3076	1.2506	2.4991	1.9063	3.2106
C2	1.3076		2.4991	1.2506	3.2106	1.9063
N3	1.2506	2.4991		3.7295	1.0328	4.3560
N4	2.4991	1.2506	3.7295		4.3560	1.0328
H5	1.9063	3.2106	1.0328	4.3560		5.1161
H6	3.2106	1.9063	4.3560	1.0328	5.1161

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.315		C1	N3	H5	112.853
C2	C1	N3	155.315		C2	N4	H6	112.853

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	0.588
2	C	0.588
3	N	-0.790
4	N	-0.790
5	H	0.202
6	H	0.202

	x	y	z
x	5.114	-2.138	0.000
y	-2.138	11.704	0.000
z	0.000	0.000	3.754

<r²>	80.915
(<r²>)^1/2	8.995