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	hartrees
Energy at 0K	-186.639532
Energy at 298.15K
HF Energy	-186.439180
Nuclear repulsion energy	88.822650

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	3386	3244	0.00	796.80	0.31	0.47
2	A_g	2095	2007	0.00	19.51	0.37	0.54
3	A_g	1180	1130	0.00	26.24	0.73	0.84
4	A_g	926	887	0.00	33.43	0.25	0.40
5	A_g	311	298	0.00	3.88	0.34	0.51
6	A_u	950	910	115.48	0.00	0.00	0.00
7	A_u	250	239	0.07	0.00	0.00	0.00
8	B_g	695	666	0.00	9.76	0.75	0.86
9	B_u	3387	3245	6.09	0.00	0.30	0.47
10	B_u	1735	1663	125.28	0.00	0.00	0.00
11	B_u	1137	1090	412.92	0.00	0.00	0.00
12	B_u	284	272	6.68	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.291	-0.592
C2	-0.291	0.592
N3	0.291	-1.847
N4	-0.291	1.847
H5	1.254	-2.219
H6	-1.254	2.219

	C1	C2	N3	N4	H5	H6
C1		1.3191	1.2556	2.5078	1.8910	3.2077
C2	1.3191		2.5078	1.2556	3.2077	1.8910
N3	1.2556	2.5078		3.7405	1.0323	4.3503
N4	2.5078	1.2556	3.7405		4.3503	1.0323
H5	1.8910	3.2077	1.0323	4.3503		5.0981
H6	3.2077	1.8910	4.3503	1.0323	5.0981

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.812		C1	N3	H5	111.107
C2	C1	N3	153.812		C2	N4	H6	111.107

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP=FULLultrafine/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	-0.005
2	C	-0.005
3	N	-0.129
4	N	-0.129
5	H	0.135
6	H	0.135

	x	y	z
x	3.904	-2.457	0.000
y	-2.457	9.940	0.000
z	0.000	0.000	2.249

<r²>	80.814
(<r²>)^1/2	8.990