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	hartrees
Energy at 0K	-186.730400
Energy at 298.15K
HF Energy	-186.494571
Nuclear repulsion energy	89.587352

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	3426	3426	0.00	648.18	0.31	0.48
2	A_g	2120	2120	0.00	24.43	0.38	0.55
3	A_g	1167	1167	0.00	31.94	0.54	0.70
4	A_g	926	926	0.00	50.17	0.16	0.27
5	A_g	313	313	0.00	3.31	0.40	0.57
6	A_u	958	958	117.11	0.00	0.00	0.00
7	A_u	251	251	0.00	0.00	0.00	0.00
8	B_g	679	679	0.00	3.40	0.75	0.86
9	B_u	3426	3426	19.16	0.00	0.31	0.48
10	B_u	1728	1728	155.88	0.00	0.00	0.00
11	B_u	1130	1130	397.92	0.00	0.00	0.00
12	B_u	280	280	6.06	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.249	-0.599
C2	-0.249	0.599
N3	0.249	-1.844
N4	-0.249	1.844
H5	1.190	-2.243
H6	-1.190	2.243

	C1	C2	N3	N4	H5	H6
C1		1.2978	1.2448	2.4936	1.8942	3.1858
C2	1.2978		2.4936	1.2448	3.1858	1.8942
N3	1.2448	2.4936		3.7217	1.0222	4.3331
N4	2.4936	1.2448	3.7217		4.3331	1.0222
H5	1.8942	3.1858	1.0222	4.3331		5.0784
H6	3.1858	1.8942	4.3331	1.0222	5.0784

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.467		C1	N3	H5	112.974
C2	C1	N3	157.467		C2	N4	H6	112.974

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	0.585
2	C	0.585
3	N	-0.801
4	N	-0.801
5	H	0.217
6	H	0.217

	x	y	z
x	4.857	-1.966	0.000
y	-1.966	11.504	0.000
z	0.000	0.000	3.692

<r²>	80.570
(<r²>)^1/2	8.976