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	hartrees
Energy at 0K	-186.670573
Energy at 298.15K
HF Energy	-186.466393
Nuclear repulsion energy	89.389865

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	3423	3423	0.00	729.08	0.32	0.49
2	A_g	2116	2116	0.00	20.80	0.39	0.56
3	A_g	1203	1203	0.00	27.72	0.74	0.85
4	A_g	925	925	0.00	34.71	0.25	0.39
5	A_g	315	315	0.00	4.97	0.28	0.44
6	A_u	973	973	141.54	0.00	0.00	0.00
7	A_u	256	256	0.03	0.00	0.00	0.00
8	B_g	699	699	0.00	8.39	0.75	0.86
9	B_u	3424	3424	2.12	0.00	0.32	0.48
10	B_u	1731	1731	123.71	0.00	0.00	0.00
11	B_u	1160	1160	447.61	0.00	0.00	0.00
12	B_u	285	285	7.53	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.262	-0.596
C2	-0.262	0.596
N3	0.262	-1.845
N4	-0.262	1.845
H5	1.208	-2.236
H6	-1.208	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3030	1.2483	2.4967	1.8930	3.1914
C2	1.3030		2.4967	1.2483	3.1914	1.8930
N3	1.2483	2.4967		3.7263	1.0232	4.3377
N4	2.4967	1.2483	3.7263		4.3377	1.0232
H5	1.8930	3.1914	1.0232	4.3377		5.0832
H6	3.1914	1.8930	4.3377	1.0232	5.0832

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.247		C1	N3	H5	112.516
C2	C1	N3	156.247		C2	N4	H6	112.516

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/6-311G*

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	0.170
2	C	0.170
3	N	-0.485
4	N	-0.485
5	H	0.315
6	H	0.315

	x	y	z
x	3.818	-2.234	0.000
y	-2.234	10.208	0.000
z	0.000	0.000	2.318

<r²>	80.436
(<r²>)^1/2	8.969