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	hartrees
Energy at 0K	-186.748256
Energy at 298.15K
HF Energy	-186.748256
Nuclear repulsion energy	89.336433

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	3433	3271	0.00	712.80	0.31	0.47
2	A_g	2219	2114	0.00	27.99	0.37	0.54
3	A_g	1189	1133	0.00	19.87	0.75	0.86
4	A_g	948	903	0.00	36.54	0.27	0.43
5	A_g	282	268	0.00	4.35	0.44	0.61
6	A_u	962	917	123.53	0.00	0.00	0.00
7	A_u	252	240	0.00	0.00	0.00	0.00
8	B_g	679	646	0.00	9.16	0.75	0.86
9	B_u	3434	3271	12.33	0.00	0.00	0.00
10	B_u	1789	1704	194.24	0.00	0.00	0.00
11	B_u	1157	1103	382.33	0.00	0.00	0.00
12	B_u	286	272	6.47	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.241	-0.606
C2	-0.241	0.606
N3	0.241	-1.852
N4	-0.241	1.852
H5	1.203	-2.223
H6	-1.203	2.223

	C1	C2	N3	N4	H5	H6
C1		1.3052	1.2460	2.5055	1.8812	3.1768
C2	1.3052		2.5055	1.2460	3.1768	1.8812
N3	1.2460	2.5055		3.7358	1.0304	4.3239
N4	2.5055	1.2460	3.7358		4.3239	1.0304
H5	1.8812	3.1768	1.0304	4.3239		5.0556
H6	3.1768	1.8812	4.3239	1.0304	5.0556

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.283		C1	N3	H5	111.107
C2	C1	N3	158.283		C2	N4	H6	111.107

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.013
2	C	0.013
3	N	-0.158
4	N	-0.158
5	H	0.144
6	H	0.144

	x	y	z
x	3.630	-2.215	0.000
y	-2.215	9.987	0.000
z	0.000	0.000	2.254

<r²>	80.328
(<r²>)^1/2	8.963