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	hartrees
Energy at 0K	-184.431900
Energy at 298.15K
HF Energy	-184.431900
Nuclear repulsion energy	86.838423

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	3369	3369	0.00	447.50	0.32	0.49
2	A_g	2049	2049	0.00	25.25	0.33	0.49
3	A_g	1257	1257	0.00	38.50	0.73	0.85
4	A_g	943	943	0.00	25.47	0.23	0.38
5	A_g	356	356	0.00	0.89	0.28	0.44
6	A_u	939	939	82.12	0.00	0.00	0.00
7	A_u	238	238	0.00	0.00	0.00	0.00
8	B_g	720	720	0.00	18.85	0.75	0.86
9	B_u	3368	3368	12.31	0.00	0.00	0.00
10	B_u	1729	1729	14.13	0.00	0.00	0.00
11	B_u	1211	1211	291.31	0.00	0.00	0.00
12	B_u	293	293	3.53	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.359	-0.561
C2	-0.359	0.561
N3	0.359	-1.860
N4	-0.359	1.860
H5	1.390	-2.192
H6	-1.390	2.192

	C1	C2	N3	N4	H5	H6
C1		1.3315	1.2989	2.5245	1.9301	3.2616
C2	1.3315		2.5245	1.2989	3.2616	1.9301
N3	1.2989	2.5245		3.7878	1.0836	4.4132
N4	2.5245	1.2989	3.7878		4.4132	1.0836
H5	1.9301	3.2616	1.0836	4.4132		5.1917
H6	3.2616	1.9301	4.4132	1.0836	5.1917

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	147.373		C1	N3	H5	107.874
C2	C1	N3	147.373		C2	N4	H6	107.874

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/STO-3G

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	0.048
2	C	0.048
3	N	-0.233
4	N	-0.233
5	H	0.185
6	H	0.185

	x	y	z
x	2.628	-2.663	0.000
y	-2.663	7.231	0.000
z	0.000	0.000	0.805

<r²>	81.663
(<r²>)^1/2	9.037