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	hartrees
Energy at 0K	-186.828603
Energy at 298.15K
HF Energy	-186.828603
Nuclear repulsion energy	89.084424

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	3390	3263	0.00	681.23	0.34	0.51
2	A_g	2087	2009	0.00	43.44	0.35	0.52
3	A_g	1173	1129	0.00	32.37	0.73	0.84
4	A_g	933	898	0.00	47.79	0.18	0.30
5	A_g	353	339	0.00	6.96	0.24	0.39
6	A_u	954	918	133.74	0.00	0.00	0.00
7	A_u	252	242	0.09	0.00	0.00	0.00
8	B_g	714	687	0.00	6.90	0.75	0.86
9	B_u	3391	3263	4.88	0.00	0.00	0.00
10	B_u	1751	1685	175.87	0.00	0.00	0.00
11	B_u	1123	1081	401.27	0.00	0.00	0.00
12	B_u	280	270	8.83	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.300	-0.586
C2	-0.300	0.586
N3	0.300	-1.838
N4	-0.300	1.838
H5	1.250	-2.230
H6	-1.250	2.230

	C1	C2	N3	N4	H5	H6
C1		1.3162	1.2518	2.4967	1.8986	3.2138
C2	1.3162		2.4967	1.2518	3.2138	1.8986
N3	1.2518	2.4967		3.7240	1.0279	4.3526
N4	2.4967	1.2518	3.7240		4.3526	1.0279
H5	1.8986	3.2138	1.0279	4.3526		5.1122
H6	3.2138	1.8986	4.3526	1.0279	5.1122

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.918		C1	N3	H5	112.415
C2	C1	N3	152.918		C2	N4	H6	112.415

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: TPSSh/6-31+G**

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	0.105
2	C	0.105
3	N	-0.397
4	N	-0.397
5	H	0.292
6	H	0.292

	x	y	z
x	4.605	-2.300	0.000
y	-2.300	11.223	0.000
z	0.000	0.000	3.024

<r²>	80.760
(<r²>)^1/2	8.987