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	hartrees
Energy at 0K	-32.186916
Energy at 298.15K
HF Energy	-32.186916
Nuclear repulsion energy	44.959822

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	3506	3506	0.00	484.25	0.33	0.49
2	A_g	2071	2071	0.00	56.76	0.36	0.53
3	A_g	1191	1191	0.00	35.59	0.74	0.85
4	A_g	927	927	0.00	43.94	0.23	0.37
5	A_g	382	382	0.00	9.90	0.45	0.62
6	A_u	938	938	143.76	0.00	0.00	0.00
7	A_u	247	247	0.17	0.00	0.00	0.00
8	B_g	743	743	0.00	13.90	0.75	0.86
9	B_u	3506	3506	21.43	0.00	0.00	0.00
10	B_u	1778	1778	285.13	0.00	0.00	0.00
11	B_u	1127	1127	526.41	0.00	0.00	0.00
12	B_u	278	278	12.12	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.181	-0.658
C2	-0.181	0.658
N3	-0.181	-1.863
N4	0.181	1.863
H5	0.633	-2.492
H6	-0.633	2.492

	C1	C2	N3	N4	H5	H6
C1		1.3652	1.2577	2.5211	1.8889	3.2538
C2	1.3652		2.5211	1.2577	3.2538	1.8889
N3	1.2577	2.5211		3.7433	1.0287	4.3784
N4	2.5211	1.2577	3.7433		4.3784	1.0287
H5	1.8889	3.2538	1.0287	4.3784		5.1426
H6	3.2538	1.8889	4.3784	1.0287	5.1426

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	147.952		C1	N3	H5	111.009
C2	C1	N3	147.952		C2	N4	H6	111.009

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: wB97X-D/CEP-31G*

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	-0.319
2	C	-0.319
3	N	0.006
4	N	0.006
5	H	0.313
6	H	0.313

	x	y	z
x	3.609	-0.776	0.000
y	-0.776	11.389	0.000
z	0.000	0.000	2.590

<r²>	65.614
(<r²>)^1/2	8.100