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	hartrees
Energy at 0K	-186.765536
Energy at 298.15K
HF Energy	-186.765536
Nuclear repulsion energy	89.292555

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	3302	3255	0.00	868.61	0.31	0.47
2	A_g	2048	2019	0.00	24.57	0.38	0.56
3	A_g	1163	1147	0.00	26.04	0.67	0.80
4	A_g	913	901	0.00	36.46	0.21	0.34
5	A_g	330	325	0.00	2.55	0.53	0.70
6	A_u	937	924	112.11	0.00	0.00	0.00
7	A_u	247	244	0.04	0.00	0.00	0.00
8	B_g	687	677	0.00	6.58	0.75	0.86
9	B_u	3302	3255	1.49	0.00	0.00	0.00
10	B_u	1710	1686	131.51	0.00	0.00	0.00
11	B_u	1118	1102	398.74	0.00	0.00	0.00
12	B_u	281	277	6.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.286	-0.589
C2	-0.286	0.589
N3	0.286	-1.838
N4	-0.286	1.838
H5	1.236	-2.231
H6	-1.236	2.231

	C1	C2	N3	N4	H5	H6
C1		1.3093	1.2487	2.4931	1.8969	3.2041
C2	1.3093		2.4931	1.2487	3.2041	1.8969
N3	1.2487	2.4931		3.7196	1.0281	4.3438
N4	2.4931	1.2487	3.7196		4.3438	1.0281
H5	1.8969	3.2041	1.0281	4.3438		5.1005
H6	3.2041	1.8969	4.3438	1.0281	5.1005

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.122		C1	N3	H5	112.487
C2	C1	N3	154.122		C2	N4	H6	112.487

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/cc-pVTZ

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	-0.023
2	C	-0.023
3	N	-0.141
4	N	-0.141
5	H	0.164
6	H	0.164

	x	y	z
x	4.569	-2.356	0.000
y	-2.356	10.824	0.000
z	0.000	0.000	3.029

<r²>	80.283
(<r²>)^1/2	8.960