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	hartrees
Energy at 0K	-184.324100
Energy at 298.15K
HF Energy	-184.324100
Nuclear repulsion energy	87.377817

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	3469	3469	0.00	427.57	0.32	0.48
2	A_g	2199	2199	0.00	26.27	0.34	0.50
3	A_g	1269	1269	0.00	37.57	0.74	0.85
4	A_g	963	963	0.00	27.08	0.25	0.39
5	A_g	312	312	0.00	1.19	0.24	0.38
6	A_u	965	965	88.10	0.00	0.00	0.00
7	A_u	236	236	0.19	0.00	0.00	0.00
8	B_g	697	697	0.00	17.86	0.75	0.86
9	B_u	3468	3468	12.17	0.00	0.00	0.00
10	B_u	1783	1783	21.10	0.00	0.00	0.00
11	B_u	1235	1235	297.95	0.00	0.00	0.00
12	B_u	292	292	4.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.306	-0.582
C2	-0.306	0.582
N3	0.306	-1.870
N4	-0.306	1.870
H5	1.328	-2.209
H6	-1.328	2.209

	C1	C2	N3	N4	H5	H6
C1		1.3153	1.2878	2.5270	1.9208	3.2338
C2	1.3153		2.5270	1.2878	3.2338	1.9208
N3	1.2878	2.5270		3.7893	1.0761	4.3935
N4	2.5270	1.2878	3.7893		4.3935	1.0761
H5	1.9208	3.2338	1.0761	4.3935		5.1539
H6	3.2338	1.9208	4.3935	1.0761	5.1539

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.240		C1	N3	H5	108.360
C2	C1	N3	152.240		C2	N4	H6	108.360

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/STO-3G

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	0.057
2	C	0.057
3	N	-0.249
4	N	-0.249
5	H	0.191
6	H	0.191

	x	y	z
x	2.358	-2.503	0.000
y	-2.503	7.325	0.000
z	0.000	0.000	0.780

<r²>	81.478
(<r²>)^1/2	9.027