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	hartrees
Energy at 0K	-186.806441
Energy at 298.15K
HF Energy	-186.806441
Nuclear repulsion energy	90.016535

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	3459	3459	0.00	619.05	0.30	0.46
2	A_g	2220	2220	0.00	30.98	0.39	0.56
3	A_g	1180	1180	0.00	25.48	0.50	0.67
4	A_g	946	946	0.00	53.04	0.15	0.26
5	A_g	304	304	0.00	3.74	0.54	0.70
6	A_u	973	973	123.09	0.00	0.00	0.00
7	A_u	254	254	0.04	0.00	0.00	0.00
8	B_g	671	671	0.00	3.33	0.75	0.86
9	B_u	3459	3459	21.31	0.00	0.00	0.00
10	B_u	1776	1776	225.11	0.00	0.00	0.00
11	B_u	1152	1152	373.81	0.00	0.00	0.00
12	B_u	287	287	6.46	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.210	-0.610
C2	-0.210	0.610
N3	0.210	-1.846
N4	-0.210	1.846
H5	1.151	-2.240
H6	-1.151	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2894	1.2365	2.4912	1.8825	3.1578
C2	1.2894		2.4912	1.2365	3.1578	1.8825
N3	1.2365	2.4912		3.7158	1.0204	4.3066
N4	2.4912	1.2365	3.7158		4.3066	1.0204
H5	1.8825	3.1578	1.0204	4.3066		5.0367
H6	3.1578	1.8825	4.3066	1.0204	5.0367

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.992		C1	N3	H5	112.699
C2	C1	N3	160.992		C2	N4	H6	112.699

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/daug-cc-pVTZ

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	0.570
2	C	0.570
3	N	-0.957
4	N	-0.957
5	H	0.387
6	H	0.387

	x	y	z
x	4.795	-1.761	0.000
y	-1.761	11.499	0.000
z	0.000	0.000	3.795

<r²>	79.979
(<r²>)^1/2	8.943