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	hartrees
Energy at 0K	-185.994761
Energy at 298.15K
HF Energy	-185.572738
Nuclear repulsion energy	87.667233

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	3373	3205	0.00	697.66	0.32	0.48
2	A_g	1995	1895	0.00	19.78	0.45	0.62
3	A_g	1166	1108	0.00	50.30	0.75	0.86
4	A_g	904	859	0.00	20.87	0.27	0.42
5	A_g	397	377	0.00	5.04	0.05	0.10
6	A_u	954	907	165.09	0.00	0.75	0.86
7	A_u	236	224	0.31	0.00	0.00	0.00
8	B_g	744	707	0.00	9.94	0.75	0.86
9	B_u	3376	3208	2.54	0.00	0.00	0.00
10	B_u	1667	1584	51.73	0.00	0.00	0.00
11	B_u	1058	1005	610.35	0.00	0.00	0.00
12	B_u	295	280	9.78	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.173	-0.645
C2	-0.173	0.645
N3	-0.173	-1.876
N4	0.173	1.876
H5	0.605	-2.556
H6	-0.605	2.556

	C1	C2	N3	N4	H5	H6
C1		1.3363	1.2777	2.5211	1.9586	3.2943
C2	1.3363		2.5211	1.2777	3.2943	1.9586
N3	1.2777	2.5211		3.7672	1.0328	4.4525
N4	2.5211	1.2777	3.7672		4.4525	1.0328
H5	1.9586	3.2943	1.0328	4.4525		5.2528
H6	3.2943	1.9586	4.4525	1.0328	5.2528

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	149.348		C1	N3	H5	115.518
C2	C1	N3	149.348		C2	N4	H6	115.518

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2=FULL/6-31G

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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