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	hartrees
Energy at 0K	-185.040536
Energy at 298.15K
HF Energy	-184.628985
Nuclear repulsion energy	88.587830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	3111	0.00
2	A_g	2267	2204	0.00
3	A_g	1204	1171	0.00
4	A_g	911	886	0.00
5	A_g	318	309	0.00
6	A_u	992	964	147.72
7	A_u	278	270	0.01
8	B_g	768	747	0.00
9	B_u	3203	3114	30.67
10	B_u	1705	1657	48.53
11	B_u	1206	1172	428.91
12	B_u	293	285	42.12

Atom	x (Å)	y (Å)
C1	0.000	-0.642
C2	-0.000	0.642
N3	0.000	-1.903
N4	-0.000	1.903
H5	0.944	-2.345
H6	-0.944	2.345

	C1	C2	N3	N4	H5	H6
C1		1.2849	1.2601	2.5450	1.9468	3.1332
C2	1.2849		2.5450	1.2601	3.1332	1.9468
N3	1.2601	2.5450		3.8050	1.0423	4.3513
N4	2.5450	1.2601	3.8050		4.3513	1.0423
H5	1.9468	3.1332	1.0423	4.3513		5.0559
H6	3.1332	1.9468	4.3513	1.0423	5.0559

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	179.994		C1	N3	H5	115.133
C2	C1	N3	179.994		C2	N4	H6	115.133

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CCD/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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