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	hartrees
Energy at 0K	-186.610078
Energy at 298.15K
HF Energy	-186.610078
Nuclear repulsion energy	88.480998

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	3247	3228	0.00	923.16	0.31	0.47
2	A_g	2049	2038	0.00	19.77	0.36	0.53
3	A_g	1146	1140	0.00	29.39	0.72	0.84
4	A_g	917	911	0.00	32.75	0.26	0.41
5	A_g	329	327	0.00	3.33	0.47	0.64
6	A_u	920	915	105.45	0.00	0.00	0.00
7	A_u	245	243	0.25	0.00	0.00	0.00
8	B_g	688	684	0.00	10.47	0.75	0.86
9	B_u	3247	3228	4.79	0.00	0.31	0.47
10	B_u	1717	1707	119.85	0.00	0.00	0.00
11	B_u	1100	1094	373.42	0.00	0.00	0.00
12	B_u	280	279	7.30	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.308	-0.587
C2	-0.308	0.587
N3	0.308	-1.847
N4	-0.308	1.847
H5	1.281	-2.223
H6	-1.281	2.223

	C1	C2	N3	N4	H5	H6
C1		1.3255	1.2602	2.5105	1.9034	3.2278
C2	1.3255		2.5105	1.2602	3.2278	1.9034
N3	1.2602	2.5105		3.7449	1.0428	4.3690
N4	2.5105	1.2602	3.7449		4.3690	1.0428
H5	1.9034	3.2278	1.0428	4.3690		5.1310
H6	3.2278	1.9034	4.3690	1.0428	5.1310

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.272		C1	N3	H5	111.124
C2	C1	N3	152.272		C2	N4	H6	111.124

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBEultrafine/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	-0.004
2	C	-0.004
3	N	-0.126
4	N	-0.126
5	H	0.130
6	H	0.130

	x	y	z
x	4.095	-2.582	0.000
y	-2.582	10.090	0.000
z	0.000	0.000	2.278

<r²>	80.968
(<r²>)^1/2	8.998