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	hartrees
Energy at 0K	-186.651124
Energy at 298.15K
HF Energy	-186.651124
Nuclear repulsion energy	89.938844

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	3287	0.00	745.36	0.31	0.48
2	A_g	2204	2115	0.00	32.60	0.41	0.58
3	A_g	1167	1120	0.00	26.10	0.75	0.86
4	A_g	951	913	0.00	44.03	0.22	0.36
5	A_g	341	327	0.00	9.20	0.25	0.40
6	A_u	973	934	137.43	0.00	0.00	0.00
7	A_u	256	246	0.01	0.00	0.00	0.00
8	B_g	693	665	0.00	8.12	0.75	0.86
9	B_u	3426	3288	10.87	0.00	0.00	0.00
10	B_u	1788	1716	190.92	0.00	0.00	0.00
11	B_u	1130	1085	372.66	0.00	0.00	0.00
12	B_u	287	275	9.40	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.233	-0.603
C2	-0.233	0.603
N3	0.233	-1.841
N4	-0.233	1.841
H5	1.177	-2.236
H6	-1.177	2.236

	C1	C2	N3	N4	H5	H6
C1		1.2925	1.2378	2.4876	1.8860	3.1692
C2	1.2925		2.4876	1.2378	3.1692	1.8860
N3	1.2378	2.4876		3.7107	1.0235	4.3131
N4	2.4876	1.2378	3.7107		4.3131	1.0235
H5	1.8860	3.1692	1.0235	4.3131		5.0529
H6	3.1692	1.8860	4.3131	1.0235	5.0529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.907		C1	N3	H5	112.692
C2	C1	N3	158.907		C2	N4	H6	112.692

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/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	-0.037
2	C	-0.037
3	N	-0.183
4	N	-0.183
5	H	0.220
6	H	0.220

	x	y	z
x	4.075	-2.070	0.000
y	-2.070	10.902	0.000
z	0.000	0.000	2.717

<r²>	79.895
(<r²>)^1/2	8.938