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	hartrees
Energy at 0K	-186.773012
Energy at 298.15K
HF Energy	-186.773012
Nuclear repulsion energy	89.293315

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	3311	3266	0.00	839.50	0.31	0.47
2	A_g	2043	2015	0.00	25.55	0.39	0.56
3	A_g	1159	1143	0.00	28.73	0.66	0.79
4	A_g	914	902	0.00	41.31	0.18	0.30
5	A_g	333	329	0.00	4.12	0.36	0.53
6	A_u	936	923	112.48	0.00	0.00	0.00
7	A_u	247	243	0.04	0.00	0.00	0.00
8	B_g	687	677	0.00	6.59	0.75	0.86
9	B_u	3311	3266	1.30	0.00	0.00	0.00
10	B_u	1711	1687	139.64	0.00	0.00	0.00
11	B_u	1113	1098	394.05	0.00	0.00	0.00
12	B_u	277	273	6.82	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.287	-0.589
C2	-0.287	0.589
N3	0.287	-1.837
N4	-0.287	1.837
H5	1.235	-2.235
H6	-1.235	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3101	1.2483	2.4930	1.8992	3.2074
C2	1.3101		2.4930	1.2483	3.2074	1.8992
N3	1.2483	2.4930		3.7189	1.0277	4.3469
N4	2.4930	1.2483	3.7189		4.3469	1.0277
H5	1.8992	3.2074	1.0277	4.3469		5.1061
H6	3.2074	1.8992	4.3469	1.0277	5.1061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.032		C1	N3	H5	112.756
C2	C1	N3	154.032		C2	N4	H6	112.756

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/Def2TZVPP

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	0.024
2	C	0.024
3	N	-0.208
4	N	-0.208
5	H	0.184
6	H	0.184

	x	y	z
x	4.767	-2.322	0.000
y	-2.322	11.161	0.000
z	0.000	0.000	3.243

<r²>	80.404
(<r²>)^1/2	8.967