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	hartrees
Energy at 0K	-186.445720
Energy at 298.15K
HF Energy	-185.741480
Nuclear repulsion energy	89.268718

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	3453	3257	0.00	534.77	0.30	0.46
2	A_g	2089	1971	0.00	4.53	0.72	0.84
3	A_g	1148	1083	0.00	40.44	0.52	0.68
4	A_g	917	865	0.00	36.28	0.13	0.23
5	A_g	323	305	0.00	3.06	0.31	0.48
6	A_u	952	898	114.46	0.00	0.75	0.86
7	A_u	246	232	0.00	0.00	0.00	0.00
8	B_g	684	645	0.00	1.59	0.75	0.86
9	B_u	3453	3258	38.78	0.00	0.30	0.46
10	B_u	1706	1609	112.85	0.00	0.00	0.00
11	B_u	1107	1045	397.10	0.00	0.00	0.00
12	B_u	281	265	6.27	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.270	-0.594
C2	-0.270	0.594
N3	0.270	-1.845
N4	-0.270	1.845
H5	1.218	-2.231
H6	-1.218	2.231

	C1	C2	N3	N4	H5	H6
C1		1.3049	1.2512	2.4983	1.8914	3.1926
C2	1.3049		2.4983	1.2512	3.1926	1.8914
N3	1.2512	2.4983		3.7298	1.0232	4.3390
N4	2.4983	1.2512	3.7298		4.3390	1.0232
H5	1.8914	3.1926	1.0232	4.3390		5.0830
H6	3.1926	1.8914	4.3390	1.0232	5.0830

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.577		C1	N3	H5	112.140
C2	C1	N3	155.577		C2	N4	H6	112.140

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/6-311+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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