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	hartrees
Energy at 0K	-186.813124
Energy at 298.15K
HF Energy	-186.813124
Nuclear repulsion energy	89.278222

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	3381	3249	0.00	775.78	0.31	0.47
2	A_g	2153	2069	0.00	26.00	0.38	0.55
3	A_g	1187	1141	0.00	30.03	0.74	0.85
4	A_g	943	906	0.00	36.27	0.28	0.44
5	A_g	326	314	0.00	3.68	0.33	0.49
6	A_u	960	922	132.00	0.00	0.00	0.00
7	A_u	255	245	0.06	0.00	0.00	0.00
8	B_g	689	662	0.00	13.38	0.75	0.86
9	B_u	3382	3249	1.61	0.00	0.00	0.00
10	B_u	1769	1700	153.39	0.00	0.00	0.00
11	B_u	1147	1102	397.04	0.00	0.00	0.00
12	B_u	283	272	5.72	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.263	-0.598
C2	-0.263	0.598
N3	0.263	-1.846
N4	-0.263	1.846
H5	1.216	-2.233
H6	-1.216	2.233

	C1	C2	N3	N4	H5	H6
C1		1.3058	1.2487	2.4998	1.8928	3.1937
C2	1.3058		2.4998	1.2487	3.1937	1.8928
N3	1.2487	2.4998		3.7298	1.0284	4.3392
N4	2.4998	1.2487	3.7298		4.3392	1.0284
H5	1.8928	3.1937	1.0284	4.3392		5.0853
H6	3.1937	1.8928	4.3392	1.0284	5.0853

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.230		C1	N3	H5	112.092
C2	C1	N3	156.230		C2	N4	H6	112.092

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/6-31G**

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	0.257
2	C	0.257
3	N	-0.525
4	N	-0.525
5	H	0.268
6	H	0.268

	x	y	z
x	3.687	-2.375	0.000
y	-2.375	10.086	0.000
z	0.000	0.000	2.020

<r²>	80.328
(<r²>)^1/2	8.963