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	hartrees
Energy at 0K	-186.308735
Energy at 298.15K
HF Energy	-185.701202
Nuclear repulsion energy	88.228246

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	3417	3417	0.00	569.62	0.28	0.44
2	A_g	2016	2016	0.00	4.63	0.73	0.85
3	A_g	1151	1151	0.00	45.05	0.46	0.63
4	A_g	906	906	0.00	37.18	0.11	0.21
5	A_g	342	342	0.00	2.26	0.31	0.47
6	A_u	936	936	111.49	0.00	0.00	0.00
7	A_u	241	241	0.03	0.00	0.00	0.00
8	B_g	701	701	0.00	1.78	0.75	0.86
9	B_u	3417	3417	33.43	0.00	0.28	0.44
10	B_u	1681	1681	105.83	0.00	0.00	0.00
11	B_u	1101	1101	403.93	0.00	0.00	0.00
12	B_u	276	276	6.85	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.319	-0.585
C2	-0.319	0.585
N3	0.319	-1.852
N4	-0.319	1.852
H5	1.281	-2.224
H6	-1.281	2.224

	C1	C2	N3	N4	H5	H6
C1		1.3325	1.2665	2.5186	1.9002	3.2323
C2	1.3325		2.5186	1.2665	3.2323	1.9002
N3	1.2665	2.5186		3.7576	1.0313	4.3780
N4	2.5186	1.2665	3.7576		4.3780	1.0313
H5	1.9002	3.2323	1.0313	4.3780		5.1323
H6	3.2323	1.9002	4.3780	1.0313	5.1323

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.412		C1	N3	H5	111.158
C2	C1	N3	151.412		C2	N4	H6	111.158

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/daug-cc-pVDZ

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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