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	hartrees
Energy at 0K	-186.840108
Energy at 298.15K
HF Energy	-186.840108
Nuclear repulsion energy	89.180646

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	3281	0.00	748.81	0.31	0.47
2	A_g	2131	2068	0.00	31.69	0.38	0.55
3	A_g	1175	1140	0.00	31.58	0.53	0.69
4	A_g	932	905	0.00	50.73	0.16	0.27
5	A_g	321	311	0.00	2.83	0.56	0.72
6	A_u	951	923	118.80	0.00	0.00	0.00
7	A_u	251	244	0.00	0.00	0.00	0.00
8	B_g	684	664	0.00	4.26	0.75	0.86
9	B_u	3381	3281	10.51	0.00	0.31	0.47
10	B_u	1747	1695	187.96	0.00	0.00	0.00
11	B_u	1138	1104	378.99	0.00	0.00	0.00
12	B_u	279	271	5.86	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.263	-0.599
C2	-0.263	0.599
N3	0.263	-1.848
N4	-0.263	1.848
H5	1.212	-2.244
H6	-1.212	2.244

	C1	C2	N3	N4	H5	H6
C1		1.3089	1.2489	2.5035	1.8991	3.2033
C2	1.3089		2.5035	1.2489	3.2033	1.8991
N3	1.2489	2.5035		3.7339	1.0286	4.3502
N4	2.5035	1.2489	3.7339		4.3502	1.0286
H5	1.8991	3.2033	1.0286	4.3502		5.1012
H6	3.2033	1.8991	4.3502	1.0286	5.1012

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.335		C1	N3	H5	112.636
C2	C1	N3	156.335		C2	N4	H6	112.636

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.094
2	C	0.094
3	N	-0.120
4	N	-0.120
5	H	0.026
6	H	0.026

	x	y	z
x	5.051	-2.141	0.000
y	-2.141	11.679	0.000
z	0.000	0.000	3.744

<r²>	81.110
(<r²>)^1/2	9.006