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	hartrees
Energy at 0K	-186.269709
Energy at 298.15K
HF Energy	-185.687869
Nuclear repulsion energy	88.283553

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	3418	3255	0.00	645.17	0.31	0.47
2	A_g	2043	1946	0.00	5.03	0.75	0.86
3	A_g	1158	1103	0.00	31.96	0.70	0.82
4	A_g	915	872	0.00	21.91	0.24	0.39
5	A_g	332	316	0.00	3.52	0.21	0.34
6	A_u	944	899	116.56	0.00	0.00	0.00
7	A_u	243	231	0.08	0.00	0.00	0.00
8	B_g	704	670	0.00	5.97	0.75	0.86
9	B_u	3419	3256	13.82	0.00	0.31	0.47
10	B_u	1703	1622	81.29	0.00	0.00	0.00
11	B_u	1111	1058	409.22	0.00	0.00	0.00
12	B_u	286	272	6.86	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.319	-0.585
C2	-0.319	0.585
N3	0.319	-1.850
N4	-0.319	1.850
H5	1.291	-2.203
H6	-1.291	2.203

	C1	C2	N3	N4	H5	H6
C1		1.3322	1.2656	2.5174	1.8880	3.2195
C2	1.3322		2.5174	1.2656	3.2195	1.8880
N3	1.2656	2.5174		3.7554	1.0345	4.3616
N4	2.5174	1.2656	3.7554		4.3616	1.0345
H5	1.8880	3.2195	1.0345	4.3616		5.1074
H6	3.2195	1.8880	4.3616	1.0345	5.1074

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	151.407		C1	N3	H5	109.930
C2	C1	N3	151.407		C2	N4	H6	109.930

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/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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