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	hartrees
Energy at 0K	-185.548302
Energy at 298.15K
HF Energy	-185.548302
Nuclear repulsion energy	89.364641

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	3234	3104	0.00	965.07	0.31	0.48
2	A_g	2346	2252	0.00	3.18	0.47	0.64
3	A_g	1165	1118	0.00	37.51	0.74	0.85
4	A_g	950	912	0.00	30.15	0.31	0.47
5	A_g	460	441	0.00	4.53	0.66	0.80
6	A_u	992	952	159.94	0.00	0.00	0.00
7	A_u	307	295	0.14	0.00	0.00	0.00
8	B_g	873	838	0.00	3.39	0.75	0.86
9	B_u	3234	3104	14.64	0.00	0.00	0.00
10	B_u	1789	1717	109.98	0.00	0.00	0.00
11	B_u	1149	1103	488.93	0.00	0.00	0.00
12	B_u	317	304	42.49	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.008	-0.638
C2	-0.008	0.638
N3	-0.008	-1.883
N4	0.008	1.883
H5	0.922	-2.352
H6	-0.922	2.352

	C1	C2	N3	N4	H5	H6
C1		1.2761	1.2453	2.5212	1.9427	3.1311
C2	1.2761		2.5212	1.2453	3.1311	1.9427
N3	1.2453	2.5212		3.7665	1.0413	4.3327
N4	2.5212	1.2453	3.7665		4.3327	1.0413
H5	1.9427	3.1311	1.0413	4.3327		5.0524
H6	3.1311	1.9427	4.3327	1.0413	5.0524

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.634		C1	N3	H5	116.051
C2	C1	N3	178.634		C2	N4	H6	116.051

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBE1PBE/3-21G*

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	0.435
2	C	0.435
3	N	-0.734
4	N	-0.734
5	H	0.299
6	H	0.299

	x	y	z
x	2.270	-1.111	0.000
y	-1.111	10.152	0.000
z	0.000	0.000	1.533

<r²>	81.196
(<r²>)^1/2	9.011