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	hartrees
Energy at 0K	-186.691551
Energy at 298.15K
HF Energy	-186.691551
Nuclear repulsion energy	88.763509

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	3275	3211	0.00	791.23	0.32	0.48
2	A_g	2030	1990	0.00	24.45	0.34	0.51
3	A_g	1184	1161	0.00	34.22	0.74	0.85
4	A_g	920	902	0.00	32.98	0.26	0.41
5	A_g	358	351	0.00	4.11	0.35	0.52
6	A_u	934	916	127.69	0.00	0.00	0.00
7	A_u	246	242	0.01	0.00	0.00	0.00
8	B_g	703	689	0.00	14.03	0.75	0.86
9	B_u	3275	3211	7.07	0.00	0.32	0.48
10	B_u	1722	1688	121.38	0.00	0.00	0.00
11	B_u	1129	1107	407.24	0.00	0.00	0.00
12	B_u	281	276	6.46	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.321	-0.579
C2	-0.321	0.579
N3	0.321	-1.836
N4	-0.321	1.836
H5	1.281	-2.220
H6	-1.281	2.220

	C1	C2	N3	N4	H5	H6
C1		1.3236	1.2575	2.4987	1.9016	3.2250
C2	1.3236		2.4987	1.2575	3.2250	1.9016
N3	1.2575	2.4987		3.7279	1.0338	4.3613
N4	2.4987	1.2575	3.7279		4.3613	1.0338
H5	1.9016	3.2250	1.0338	4.3613		5.1265
H6	3.2250	1.9016	4.3613	1.0338	5.1265

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	150.959		C1	N3	H5	111.812
C2	C1	N3	150.959		C2	N4	H6	111.812

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/6-31G*

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	0.217
2	C	0.217
3	N	-0.542
4	N	-0.542
5	H	0.325
6	H	0.325

	x	y	z
x	4.013	-2.575	0.000
y	-2.575	10.051	0.000
z	0.000	0.000	2.053

<r²>	80.492
(<r²>)^1/2	8.972