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	hartrees
Energy at 0K	-186.899789
Energy at 298.15K
HF Energy	-186.899789
Nuclear repulsion energy	89.625659

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	3360	3360	0.00	797.58	0.31	0.47
2	A_g	2109	2109	0.00	27.61	0.39	0.56
3	A_g	1176	1176	0.00	26.10	0.61	0.76
4	A_g	930	930	0.00	42.14	0.18	0.30
5	A_g	321	321	0.00	2.45	0.56	0.72
6	A_u	961	961	116.17	0.00	0.00	0.00
7	A_u	251	251	0.01	0.00	0.00	0.00
8	B_g	688	688	0.00	4.99	0.75	0.86
9	B_u	3361	3361	4.34	0.00	0.00	0.00
10	B_u	1739	1739	153.26	0.00	0.00	0.00
11	B_u	1137	1137	398.10	0.00	0.00	0.00
12	B_u	284	284	6.35	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.262	-0.595
C2	-0.262	0.595
N3	0.262	-1.838
N4	-0.262	1.838
H5	1.208	-2.235
H6	-1.208	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3001	1.2436	2.4891	1.8928	3.1883
C2	1.3001		2.4891	1.2436	3.1883	1.8928
N3	1.2436	2.4891		3.7140	1.0252	4.3300
N4	2.4891	1.2436	3.7140		4.3300	1.0252
H5	1.8928	3.1883	1.0252	4.3300		5.0800
H6	3.1883	1.8928	4.3300	1.0252	5.0800

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.229		C1	N3	H5	112.726
C2	C1	N3	156.229		C2	N4	H6	112.726

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/cc-pVQZ

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	0.062
2	C	0.062
3	N	-0.303
4	N	-0.303
5	H	0.240
6	H	0.240

	x	y	z
x	4.720	-2.164	0.000
y	-2.164	11.131	0.000
z	0.000	0.000	3.389

<r²>	80.082
(<r²>)^1/2	8.949