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	hartrees
Energy at 0K	-186.769311
Energy at 298.15K
HF Energy	-186.769311
Nuclear repulsion energy	89.300923

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	3309	3258	0.00	838.63	0.31	0.47
2	A_g	2041	2009	0.00	24.34	0.38	0.55
3	A_g	1157	1139	0.00	37.92	0.47	0.64
4	A_g	914	900	0.00	47.67	0.14	0.25
5	A_g	340	335	0.00	1.91	0.60	0.75
6	A_u	933	919	109.11	0.00	0.00	0.00
7	A_u	247	243	0.06	0.00	0.00	0.00
8	B_g	687	677	0.00	3.82	0.75	0.86
9	B_u	3309	3258	1.86	0.00	0.00	0.00
10	B_u	1708	1682	149.41	0.00	0.00	0.00
11	B_u	1112	1095	383.09	0.00	0.00	0.00
12	B_u	276	272	6.45	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.287	-0.588
C2	-0.287	0.588
N3	0.287	-1.837
N4	-0.287	1.837
H5	1.234	-2.236
H6	-1.234	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3097	1.2483	2.4925	1.9000	3.2080
C2	1.3097		2.4925	1.2483	3.2080	1.9000
N3	1.2483	2.4925		3.7183	1.0274	4.3475
N4	2.4925	1.2483	3.7183		4.3475	1.0274
H5	1.9000	3.2080	1.0274	4.3475		5.1075
H6	3.2080	1.9000	4.3475	1.0274	5.1075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.980		C1	N3	H5	112.848
C2	C1	N3	153.980		C2	N4	H6	112.848

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/aug-cc-pVTZ

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	0.232
2	C	0.232
3	N	-0.337
4	N	-0.337
5	H	0.104
6	H	0.104

	x	y	z
x	5.273	-2.229	0.000
y	-2.229	11.735	0.000
z	0.000	0.000	3.869

<r²>	80.523
(<r²>)^1/2	8.973