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	hartrees
Energy at 0K	-186.457660
Energy at 298.15K
HF Energy	-185.743142
Nuclear repulsion energy	89.485122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3470	3309	0.00
2	A_g	2155	2055	0.00
3	A_g	1188	1133	0.00
4	A_g	926	883	0.00
5	A_g	299	285	0.00
6	A_u	961	917	117.76
7	A_u	246	235	0.05
8	B_g	667	637	0.00
9	B_u	3470	3309	21.47
10	B_u	1738	1657	167.72
11	B_u	1162	1109	383.51
12	B_u	282	269	5.26

Atom	x (Å)	y (Å)
C1	0.247	-0.603
C2	-0.247	0.603
N3	0.247	-1.848
N4	-0.247	1.848
H5	1.194	-2.229
H6	-1.194	2.229

	C1	C2	N3	N4	H5	H6
C1		1.3022	1.2459	2.5001	1.8823	3.1771
C2	1.3022		2.5001	1.2459	3.1771	1.8823
N3	1.2459	2.5001		3.7297	1.0210	4.3246
N4	2.5001	1.2459	3.7297		4.3246	1.0210
H5	1.8823	3.1771	1.0210	4.3246		5.0575
H6	3.1771	1.8823	4.3246	1.0210	5.0575

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.734		C1	N3	H5	111.888
C2	C1	N3	157.734		C2	N4	H6	111.888

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: QCISD/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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