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	hartrees
Energy at 0K	-185.557127
Energy at 298.15K
HF Energy	-185.557127
Nuclear repulsion energy	88.474821

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	3043	3016	0.00	1169.42	0.32	0.48
2	A_g	2238	2217	0.00	2.41	0.68	0.81
3	A_g	1130	1119	0.00	55.44	0.69	0.82
4	A_g	912	903	0.00	26.89	0.29	0.45
5	A_g	453	449	0.00	3.69	0.68	0.81
6	A_u	953	944	137.09	0.00	0.00	0.00
7	A_u	299	296	0.22	0.00	0.00	0.00
8	B_g	858	850	0.00	2.33	0.75	0.86
9	B_u	3038	3011	78.21	0.00	0.00	0.00
10	B_u	1711	1696	73.57	0.00	0.00	0.00
11	B_u	1121	1111	434.79	0.00	0.00	0.00
12	B_u	303	300	40.12	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.008	-0.643
C2	-0.008	0.643
N3	-0.008	-1.902
N4	0.008	1.902
H5	0.941	-2.366
H6	-0.941	2.366

	C1	C2	N3	N4	H5	H6
C1		1.2859	1.2589	2.5446	1.9594	3.1549
C2	1.2859		2.5446	1.2589	3.1549	1.9594
N3	1.2589	2.5446		3.8035	1.0566	4.3684
N4	2.5446	1.2589	3.8035		4.3684	1.0566
H5	1.9594	3.1549	1.0566	4.3684		5.0923
H6	3.1549	1.9594	4.3684	1.0566	5.0923

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.540		C1	N3	H5	115.323
C2	C1	N3	178.540		C2	N4	H6	115.323

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/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	0.412
2	C	0.412
3	N	-0.691
4	N	-0.691
5	H	0.278
6	H	0.278

	x	y	z
x	2.439	-1.223	0.000
y	-1.223	10.486	0.000
z	0.000	0.000	1.546

<r²>	82.403
(<r²>)^1/2	9.078