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	hartrees
Energy at 0K	-186.646254
Energy at 298.15K
HF Energy	-186.646254
Nuclear repulsion energy	88.979813

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	3284	3254	0.00	862.60	0.32	0.48
2	A_g	2069	2050	0.00	21.64	0.37	0.55
3	A_g	1147	1137	0.00	28.13	0.73	0.85
4	A_g	914	906	0.00	34.20	0.25	0.40
5	A_g	316	313	0.00	4.03	0.37	0.54
6	A_u	934	925	121.23	0.00	0.00	0.00
7	A_u	247	245	0.13	0.00	0.00	0.00
8	B_g	682	676	0.00	8.49	0.75	0.86
9	B_u	3284	3254	3.10	0.00	0.32	0.00
10	B_u	1713	1697	122.59	0.00	0.00	0.00
11	B_u	1105	1095	380.99	0.00	0.00	0.00
12	B_u	279	276	7.04	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.278	-0.593
C2	-0.278	0.593
N3	0.278	-1.847
N4	-0.278	1.847
H5	1.238	-2.235
H6	-1.238	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3106	1.2535	2.5028	1.9015	3.2090
C2	1.3106		2.5028	1.2535	3.2090	1.9015
N3	1.2535	2.5028		3.7353	1.0349	4.3543
N4	2.5028	1.2535	3.7353		4.3543	1.0349
H5	1.9015	3.2090	1.0349	4.3543		5.1097
H6	3.2090	1.9015	4.3543	1.0349	5.1097

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.861		C1	N3	H5	112.031
C2	C1	N3	154.861		C2	N4	H6	112.031

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/6-311G**

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	0.119
2	C	0.119
3	N	-0.327
4	N	-0.327
5	H	0.208
6	H	0.208

	x	y	z
x	4.063	-2.369	0.000
y	-2.369	10.415	0.000
z	0.000	0.000	2.420

<r²>	80.722
(<r²>)^1/2	8.985