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	hartrees
Energy at 0K	-186.878572
Energy at 298.15K
HF Energy	-186.878572
Nuclear repulsion energy	89.774501

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	3377	3260	0.00	816.78	0.32	0.48
2	A_g	2152	2077	0.00	31.50	0.43	0.60
3	A_g	1171	1130	0.00	28.41	0.75	0.86
4	A_g	940	908	0.00	43.12	0.21	0.35
5	A_g	340	328	0.00	9.28	0.25	0.40
6	A_u	966	933	134.92	0.00	0.00	0.00
7	A_u	256	247	0.01	0.00	0.00	0.00
8	B_g	693	669	0.00	8.90	0.75	0.86
9	B_u	3377	3260	5.11	0.00	0.32	0.48
10	B_u	1759	1698	181.16	0.00	0.00	0.00
11	B_u	1130	1090	388.99	0.00	0.00	0.00
12	B_u	283	273	8.37	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.245	-0.600
C2	-0.245	0.600
N3	0.245	-1.840
N4	-0.245	1.840
H5	1.187	-2.243
H6	-1.187	2.243

	C1	C2	N3	N4	H5	H6
C1		1.2955	1.2406	2.4887	1.8943	3.1829
C2	1.2955		2.4887	1.2406	3.1829	1.8943
N3	1.2406	2.4887		3.7130	1.0248	4.3270
N4	2.4887	1.2406	3.7130		4.3270	1.0248
H5	1.8943	3.1829	1.0248	4.3270		5.0755
H6	3.1829	1.8943	4.3270	1.0248	5.0755

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.807		C1	N3	H5	113.139
C2	C1	N3	157.807		C2	N4	H6	113.139

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/TZVP

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	-0.000
2	C	-0.000
3	N	-0.216
4	N	-0.216
5	H	0.217
6	H	0.217

	x	y	z
x	4.211	-2.176	0.000
y	-2.176	11.036	0.000
z	0.000	0.000	2.782

<r²>	80.209
(<r²>)^1/2	8.956