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	hartrees
Energy at 0K	-186.855470
Energy at 298.15K
HF Energy	-186.855470
Nuclear repulsion energy	89.646574

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	3375	3261	0.00	824.50	0.32	0.49
2	A_g	2166	2093	0.00	25.27	0.41	0.58
3	A_g	1200	1160	0.00	27.00	0.74	0.85
4	A_g	936	905	0.00	35.69	0.26	0.41
5	A_g	304	294	0.00	4.28	0.40	0.57
6	A_u	974	941	141.27	0.00	0.00	0.00
7	A_u	257	249	0.00	0.00	0.00	0.00
8	B_g	684	661	0.00	8.74	0.75	0.86
9	B_u	3376	3262	2.74	0.00	0.00	0.00
10	B_u	1755	1696	155.85	0.00	0.00	0.00
11	B_u	1164	1125	413.87	0.00	0.00	0.00
12	B_u	285	275	7.41	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.233	-0.604
C2	-0.233	0.604
N3	0.233	-1.847
N4	-0.233	1.847
H5	1.178	-2.246
H6	-1.178	2.246

	C1	C2	N3	N4	H5	H6
C1		1.2950	1.2428	2.4948	1.8946	3.1805
C2	1.2950		2.4948	1.2428	3.1805	1.8946
N3	1.2428	2.4948		3.7230	1.0257	4.3296
N4	2.4948	1.2428	3.7230		4.3296	1.0257
H5	1.8946	3.1805	1.0257	4.3296		5.0729
H6	3.1805	1.8946	4.3296	1.0257	5.0729

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.889		C1	N3	H5	112.926
C2	C1	N3	158.889		C2	N4	H6	112.926

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/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	0.176
2	C	0.176
3	N	-0.486
4	N	-0.486
5	H	0.310
6	H	0.310

	x	y	z
x	3.712	-2.161	0.000
y	-2.161	10.347	0.000
z	0.000	0.000	2.313

<r²>	80.251
(<r²>)^1/2	8.958