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	hartrees
Energy at 0K	-186.644657
Energy at 298.15K
HF Energy	-186.437672
Nuclear repulsion energy	89.060127

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	3451	3282	0.00	613.26	0.34	0.50
2	A_g	2085	1983	0.00	35.38	0.36	0.53
3	A_g	1173	1115	0.00	33.64	0.72	0.83
4	A_g	929	884	0.00	49.79	0.17	0.29
5	A_g	343	327	0.00	7.72	0.18	0.31
6	A_u	954	908	137.88	0.00	0.00	0.00
7	A_u	252	240	0.04	0.00	0.00	0.00
8	B_g	713	678	0.00	5.94	0.75	0.86
9	B_u	3452	3283	16.51	0.00	0.32	0.48
10	B_u	1740	1655	162.65	0.00	0.00	0.00
11	B_u	1123	1068	415.99	0.00	0.00	0.00
12	B_u	277	263	8.71	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.295	-0.588
C2	-0.295	0.588
N3	0.295	-1.841
N4	-0.295	1.841
H5	1.241	-2.233
H6	-1.241	2.233

	C1	C2	N3	N4	H5	H6
C1		1.3152	1.2531	2.4994	1.8974	3.2114
C2	1.3152		2.4994	1.2531	3.2114	1.8974
N3	1.2531	2.4994		3.7289	1.0241	4.3533
N4	2.4994	1.2531	3.7289		4.3533	1.0241
H5	1.8974	3.2114	1.0241	4.3533		5.1084
H6	3.2114	1.8974	4.3533	1.0241	5.1084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.390		C1	N3	H5	112.475
C2	C1	N3	153.390		C2	N4	H6	112.475

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULL/6-31+G**

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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