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	hartrees
Energy at 0K	-186.359646
Energy at 298.15K
HF Energy	-185.754904
Nuclear repulsion energy	90.368113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3580	3580	0.00
2	A_g	2329	2329	0.00
3	A_g	1223	1223	0.00
4	A_g	970	970	0.00
5	A_g	296	296	0.00
6	A_u	1010	1010	134.47
7	A_u	262	262	0.36
8	B_g	672	672	0.00
9	B_u	3581	3581	35.79
10	B_u	1824	1824	225.62
11	B_u	1210	1210	359.19
12	B_u	301	301	9.21

Atom	x (Å)	y (Å)
C1	0.164	-0.619
C2	-0.164	0.619
N3	0.164	-1.851
N4	-0.164	1.851
H5	1.101	-2.233
H6	-1.101	2.233

	C1	C2	N3	N4	H5	H6
C1		1.2809	1.2320	2.4919	1.8661	3.1200
C2	1.2809		2.4919	1.2320	3.1200	1.8661
N3	1.2320	2.4919		3.7168	1.0115	4.2755
N4	2.4919	1.2320	3.7168		4.2755	1.0115
H5	1.8661	3.1200	1.0115	4.2755		4.9792
H6	3.1200	1.8661	4.2755	1.0115	4.9792

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	165.172		C1	N3	H5	112.189
C2	C1	N3	165.172		C2	N4	H6	112.189

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CISD/Def2TZVPP

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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