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	hartrees
Energy at 0K	-186.763653
Energy at 298.15K
HF Energy	-186.763653
Nuclear repulsion energy	89.532624

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	3431	3431	0.00	709.07	0.30	0.46
2	A_g	2195	2195	0.00	27.85	0.41	0.58
3	A_g	1177	1177	0.00	29.58	0.49	0.66
4	A_g	945	945	0.00	52.05	0.15	0.27
5	A_g	309	309	0.00	2.78	0.54	0.70
6	A_u	962	962	118.80	0.00	0.00	0.00
7	A_u	253	253	0.01	0.00	0.00	0.00
8	B_g	681	681	0.00	3.85	0.75	0.86
9	B_u	3432	3432	15.99	0.00	0.30	0.46
10	B_u	1780	1780	198.06	0.00	0.00	0.00
11	B_u	1145	1145	357.12	0.00	0.00	0.00
12	B_u	284	284	6.08	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.244	-0.604
C2	-0.244	0.604
N3	0.244	-1.847
N4	-0.244	1.847
H5	1.193	-2.234
H6	-1.193	2.234

	C1	C2	N3	N4	H5	H6
C1		1.3018	1.2437	2.4987	1.8866	3.1804
C2	1.3018		2.4987	1.2437	3.1804	1.8866
N3	1.2437	2.4987		3.7264	1.0248	4.3266
N4	2.4987	1.2437	3.7264		4.3266	1.0248
H5	1.8866	3.1804	1.0248	4.3266		5.0650
H6	3.1804	1.8866	4.3266	1.0248	5.0650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.009		C1	N3	H5	112.178
C2	C1	N3	158.009		C2	N4	H6	112.178

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B1B95/daug-cc-pVDZ

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	0.158
2	C	0.158
3	N	-0.193
4	N	-0.193
5	H	0.035
6	H	0.035

	x	y	z
x	4.947	-1.987	0.000
y	-1.987	11.490	0.000
z	0.000	0.000	3.773

<r²>	80.523
(<r²>)^1/2	8.973