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	hartrees
Energy at 0K	-186.345752
Energy at 298.15K
HF Energy	-185.732738
Nuclear repulsion energy	89.247227

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	3446	3267	0.00	597.87	0.31	0.47
2	A_g	2060	1952	0.00	8.32	0.75	0.86
3	A_g	1159	1099	0.00	38.14	0.71	0.83
4	A_g	922	874	0.00	28.29	0.17	0.29
5	A_g	382	362	0.00	8.48	0.09	0.17
6	A_u	956	906	125.23	0.00	0.00	0.00
7	A_u	242	230	0.09	0.00	0.00	0.00
8	B_g	699	663	0.00	5.59	0.75	0.86
9	B_u	3447	3267	22.02	0.00	0.31	0.47
10	B_u	1708	1619	100.39	0.00	0.32	0.00
11	B_u	1112	1054	407.32	0.00	0.00	0.00
12	B_u	288	273	8.79	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.301	-0.582
C2	-0.301	0.582
N3	0.301	-1.835
N4	-0.301	1.835
H5	1.256	-2.205
H6	-1.256	2.205

	C1	C2	N3	N4	H5	H6
C1		1.3102	1.2530	2.4906	1.8831	3.1922
C2	1.3102		2.4906	1.2530	3.1922	1.8831
N3	1.2530	2.4906		3.7188	1.0241	4.3294
N4	2.4906	1.2530	3.7188		4.3294	1.0241
H5	1.8831	3.1922	1.0241	4.3294		5.0750
H6	3.1922	1.8831	4.3294	1.0241	5.0750

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.649		C1	N3	H5	111.183
C2	C1	N3	152.649		C2	N4	H6	111.183

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/TZVP

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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