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	hartrees
Energy at 0K	-186.802930
Energy at 298.15K
HF Energy	-186.802930
Nuclear repulsion energy	90.078844

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	3427	3427	0.00	722.47	0.30	0.46
2	A_g	2208	2208	0.00	25.54	0.42	0.60
3	A_g	1170	1170	0.00	28.78	0.48	0.65
4	A_g	947	947	0.00	51.46	0.16	0.27
5	A_g	308	308	0.00	2.77	0.54	0.70
6	A_u	969	969	119.43	0.00	0.00	0.00
7	A_u	255	255	0.02	0.00	0.00	0.00
8	B_g	673	673	0.00	3.39	0.75	0.86
9	B_u	3427	3427	14.68	0.00	0.00	0.00
10	B_u	1780	1780	196.36	0.00	0.00	0.00
11	B_u	1142	1142	358.55	0.00	0.00	0.00
12	B_u	286	286	6.50	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.216	-0.607
C2	-0.216	0.607
N3	0.216	-1.843
N4	-0.216	1.843
H5	1.156	-2.240
H6	-1.156	2.240

	C1	C2	N3	N4	H5	H6
C1		1.2885	1.2358	2.4876	1.8839	3.1599
C2	1.2885		2.4876	1.2358	3.1599	1.8839
N3	1.2358	2.4876		3.7108	1.0202	4.3068
N4	2.4876	1.2358	3.7108		4.3068	1.0202
H5	1.8839	3.1599	1.0202	4.3068		5.0406
H6	3.1599	1.8839	4.3068	1.0202	5.0406

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.438		C1	N3	H5	112.899
C2	C1	N3	160.438		C2	N4	H6	112.899

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B1B95/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	0.422
2	C	0.422
3	N	-0.820
4	N	-0.820
5	H	0.398
6	H	0.398

	x	y	z
x	4.800	-1.830	0.000
y	-1.830	11.461	0.000
z	0.000	0.000	3.736

<r²>	79.846
(<r²>)^1/2	8.936