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	hartrees
Energy at 0K	-185.748183
Energy at 298.15K
HF Energy	-185.748183
Nuclear repulsion energy	90.965868

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	3658	3329	0.00	589.33	0.30	0.46
2	A_g	2444	2225	0.00	88.52	0.32	0.49
3	A_g	1275	1160	0.00	10.63	0.73	0.85
4	A_g	998	908	0.00	52.00	0.23	0.37
5	A_g	330	300	0.00	6.60	0.64	0.78
6	A_u	1051	956	152.26	0.00	0.00	0.00
7	A_u	278	253	0.69	0.00	0.00	0.00
8	B_g	701	638	0.00	6.37	0.75	0.86
9	B_u	3659	3330	43.64	0.00	0.00	0.00
10	B_u	1885	1715	330.72	0.00	0.00	0.00
11	B_u	1273	1158	357.58	0.00	0.00	0.00
12	B_u	321	292	13.03	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.111	-0.626
C2	-0.111	0.626
N3	0.111	-1.848
N4	-0.111	1.848
H5	1.040	-2.235
H6	-1.040	2.235

	C1	C2	N3	N4	H5	H6
C1		1.2714	1.2217	2.4834	1.8580	3.0841
C2	1.2714		2.4834	1.2217	3.0841	1.8580
N3	1.2217	2.4834		3.7018	1.0062	4.2420
N4	2.4834	1.2217	3.7018		4.2420	1.0062
H5	1.8580	3.0841	1.0062	4.2420		4.9306
H6	3.0841	1.8580	4.2420	1.0062	4.9306

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	169.907		C1	N3	H5	112.661
C2	C1	N3	169.907		C2	N4	H6	112.661

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/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	0.006
2	C	0.006
3	N	-0.194
4	N	-0.194
5	H	0.188
6	H	0.188

	x	y	z
x	3.627	-1.406	0.000
y	-1.406	10.780	0.000
z	0.000	0.000	2.963

<r²>	79.195
(<r²>)^1/2	8.899