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	hartrees
Energy at 0K	-186.813040
Energy at 298.15K
HF Energy	-186.813040
Nuclear repulsion energy	89.079478

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	3347	3211	0.00	771.08	0.32	0.48
2	A_g	2102	2017	0.00	27.85	0.35	0.52
3	A_g	1201	1152	0.00	31.37	0.75	0.86
4	A_g	938	900	0.00	34.64	0.26	0.42
5	A_g	347	333	0.00	4.27	0.31	0.47
6	A_u	961	922	134.07	0.00	0.00	0.00
7	A_u	251	241	0.00	0.00	0.00	0.00
8	B_g	706	677	0.00	14.32	0.75	0.86
9	B_u	3347	3211	3.85	0.00	0.00	0.00
10	B_u	1756	1684	137.92	0.00	0.00	0.00
11	B_u	1150	1104	427.47	0.00	0.00	0.00
12	B_u	286	275	6.55	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.297	-0.586
C2	-0.297	0.586
N3	0.297	-1.838
N4	-0.297	1.838
H5	1.253	-2.224
H6	-1.253	2.224

	C1	C2	N3	N4	H5	H6
C1		1.3139	1.2526	2.4961	1.8966	3.2092
C2	1.3139		2.4961	1.2526	3.2092	1.8966
N3	1.2526	2.4961		3.7246	1.0305	4.3483
N4	2.4961	1.2526	3.7246		4.3483	1.0305
H5	1.8966	3.2092	1.0305	4.3483		5.1055
H6	3.2092	1.8966	4.3483	1.0305	5.1055

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.090		C1	N3	H5	111.983
C2	C1	N3	153.090		C2	N4	H6	111.983

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/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	0.239
2	C	0.239
3	N	-0.575
4	N	-0.575
5	H	0.336
6	H	0.336

	x	y	z
x	3.863	-2.489	0.000
y	-2.489	10.050	0.000
z	0.000	0.000	2.031

<r²>	80.279
(<r²>)^1/2	8.960