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	hartrees
Energy at 0K	-185.689108
Energy at 298.15K
HF Energy	-185.689108
Nuclear repulsion energy	89.522214

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	3236	3090	0.00	974.30	0.31	0.48
2	A_g	2347	2241	0.00	3.08	0.47	0.64
3	A_g	1164	1112	0.00	37.22	0.74	0.85
4	A_g	951	908	0.00	30.21	0.31	0.47
5	A_g	458	438	0.00	4.63	0.66	0.80
6	A_u	994	949	158.86	0.00	0.00	0.00
7	A_u	306	293	0.13	0.00	0.00	0.00
8	B_g	870	831	0.00	3.28	0.75	0.86
9	B_u	3236	3090	14.53	0.00	0.00	0.00
10	B_u	1789	1708	111.84	0.00	0.00	0.00
11	B_u	1147	1095	487.93	0.00	0.00	0.00
12	B_u	317	303	42.59	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.007	-0.637
C2	-0.007	0.637
N3	-0.007	-1.880
N4	0.007	1.880
H5	0.922	-2.347
H6	-0.922	2.347

	C1	C2	N3	N4	H5	H6
C1		1.2738	1.2432	2.5169	1.9398	3.1251
C2	1.2738		2.5169	1.2432	3.1251	1.9398
N3	1.2432	2.5169		3.7600	1.0391	4.3251
N4	2.5169	1.2432	3.7600		4.3251	1.0391
H5	1.9398	3.1251	1.0391	4.3251		5.0433
H6	3.1251	1.9398	4.3251	1.0391	5.0433

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.813		C1	N3	H5	116.121
C2	C1	N3	178.813		C2	N4	H6	116.121

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B1B95/3-21G*

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	0.424
2	C	0.424
3	N	-0.718
4	N	-0.718
5	H	0.295
6	H	0.295

	x	y	z
x	2.260	-1.115	0.000
y	-1.115	10.096	0.000
z	0.000	0.000	1.525

<r²>	80.914
(<r²>)^1/2	8.995