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	hartrees
Energy at 0K	-186.547618
Energy at 298.15K
HF Energy	-185.744702
Nuclear repulsion energy	89.744148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3479	3479	0.00
2	A_g	2214	2214	0.00
3	A_g	1189	1189	0.00
4	A_g	936	936	0.00
5	A_g	278	278	0.00
6	A_u	970	970	119.33
7	A_u	249	249	0.11
8	B_g	657	657	0.00
9	B_u	3479	3479	20.02
10	B_u	1756	1756	164.91
11	B_u	1172	1172	353.84
12	B_u	285	285	6.43

Atom	x (Å)	y (Å)
C1	0.207	-0.612
C2	-0.207	0.612
N3	0.207	-1.854
N4	-0.207	1.854
H5	1.152	-2.237
H6	-1.152	2.237

	C1	C2	N3	N4	H5	H6
C1		1.2915	1.2422	2.5001	1.8801	3.1563
C2	1.2915		2.5001	1.2422	3.1563	1.8801
N3	1.2422	2.5001		3.7308	1.0196	4.3108
N4	2.5001	1.2422	3.7308		4.3108	1.0196
H5	1.8801	3.1563	1.0196	4.3108		5.0325
H6	3.1563	1.8801	4.3108	1.0196	5.0325

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	161.314		C1	N3	H5	112.081
C2	C1	N3	161.314		C2	N4	H6	112.081

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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