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	hartrees
Energy at 0K	-186.883887
Energy at 298.15K
HF Energy	-186.883887
Nuclear repulsion energy	89.595096

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	3371	3371	0.00	710.51	0.32	0.48
2	A_g	2113	2113	0.00	31.28	0.38	0.55
3	A_g	1169	1169	0.00	30.35	0.55	0.71
4	A_g	930	930	0.00	48.79	0.15	0.27
5	A_g	324	324	0.00	2.78	0.49	0.66
6	A_u	958	958	113.55	0.00	0.00	0.00
7	A_u	251	251	0.02	0.00	0.00	0.00
8	B_g	690	690	0.00	4.15	0.75	0.86
9	B_u	3371	3371	5.82	0.00	0.00	0.00
10	B_u	1740	1740	164.33	0.00	0.00	0.00
11	B_u	1131	1131	385.19	0.00	0.00	0.00
12	B_u	283	283	6.60	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.262	-0.595
C2	-0.262	0.595
N3	0.262	-1.839
N4	-0.262	1.839
H5	1.207	-2.237
H6	-1.207	2.237

	C1	C2	N3	N4	H5	H6
C1		1.3001	1.2440	2.4898	1.8946	3.1903
C2	1.3001		2.4898	1.2440	3.1903	1.8946
N3	1.2440	2.4898		3.7152	1.0258	4.3326
N4	2.4898	1.2440	3.7152		4.3326	1.0258
H5	1.8946	3.1903	1.0258	4.3326		5.0838
H6	3.1903	1.8946	4.3326	1.0258	5.0838

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.261		C1	N3	H5	112.817
C2	C1	N3	156.261		C2	N4	H6	112.817

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/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	0.672
2	C	0.672
3	N	-0.855
4	N	-0.855
5	H	0.183
6	H	0.183

	x	y	z
x	4.947	-2.071	0.000
y	-2.071	11.455	0.000
z	0.000	0.000	3.679

<r²>	80.239
(<r²>)^1/2	8.958