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	hartrees
Energy at 0K	-186.511591
Energy at 298.15K
HF Energy	-185.746530
Nuclear repulsion energy	90.057417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3499	3263	0.00
2	A_g	2265	2112	0.00
3	A_g	1205	1123	0.00
4	A_g	954	890	0.00
5	A_g	302	281	0.00
6	A_u	990	923	123.92
7	A_u	265	247	0.15
8	B_g	673	627	0.00
9	B_u	3500	3264	16.88
10	B_u	1784	1664	144.88
11	B_u	1189	1109	347.64
12	B_u	300	279	8.08

Atom	x (Å)	y (Å)
C1	0.189	-0.613
C2	-0.189	0.613
N3	0.189	-1.852
N4	-0.189	1.852
H5	1.135	-2.225
H6	-1.135	2.225

	C1	C2	N3	N4	H5	H6
C1		1.2840	1.2386	2.4944	1.8686	3.1322
C2	1.2840		2.4944	1.2386	3.1322	1.8686
N3	1.2386	2.4944		3.7234	1.0164	4.2868
N4	2.4944	1.2386	3.7234		4.2868	1.0164
H5	1.8686	3.1322	1.0164	4.2868		4.9956
H6	3.1322	1.8686	4.2868	1.0164	4.9956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	162.853		C1	N3	H5	111.535
C2	C1	N3	162.853		C2	N4	H6	111.535

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP3=FULL/cc-pVTZ

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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