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	hartrees
Energy at 0K	-186.533385
Energy at 298.15K
HF Energy	-186.533385
Nuclear repulsion energy	88.169223

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	3192	0.00	967.83	0.32	0.48
2	A_g	2066	2037	0.00	19.78	0.34	0.51
3	A_g	1137	1121	0.00	40.63	0.74	0.85
4	A_g	920	908	0.00	33.83	0.28	0.44
5	A_g	373	368	0.00	4.07	0.41	0.58
6	A_u	934	921	151.72	0.00	0.00	0.00
7	A_u	250	246	0.51	0.00	0.00	0.00
8	B_g	706	696	0.00	17.01	0.75	0.86
9	B_u	3237	3193	11.32	0.00	0.00	0.00
10	B_u	1708	1685	91.27	0.00	0.00	0.00
11	B_u	1055	1040	501.56	0.00	0.00	0.00
12	B_u	281	277	10.17	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.303	-0.586
C2	-0.303	0.586
N3	0.303	-1.853
N4	-0.303	1.853
H5	1.244	-2.300
H6	-1.244	2.300

	C1	C2	N3	N4	H5	H6
C1		1.3199	1.2673	2.5139	1.9550	3.2747
C2	1.3199		2.5139	1.2673	3.2747	1.9550
N3	1.2673	2.5139		3.7562	1.0412	4.4323
N4	2.5139	1.2673	3.7562		4.4323	1.0412
H5	1.9550	3.2747	1.0412	4.4323		5.2297
H6	3.2747	1.9550	4.4323	1.0412	5.2297

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.654		C1	N3	H5	115.405
C2	C1	N3	152.654		C2	N4	H6	115.405

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/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	0.169
2	C	0.169
3	N	-0.472
4	N	-0.472
5	H	0.303
6	H	0.303

	x	y	z
x	3.796	-2.625	0.000
y	-2.625	10.425	0.000
z	0.000	0.000	1.809

<r²>	81.816
(<r²>)^1/2	9.045