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	hartrees
Energy at 0K	-186.599766
Energy at 298.15K
HF Energy	-186.599766
Nuclear repulsion energy	88.642583

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	3290	3245	0.00	804.02	0.31	0.48
2	A_g	2053	2025	0.00	21.58	0.35	0.52
3	A_g	1152	1136	0.00	34.20	0.74	0.85
4	A_g	922	909	0.00	35.18	0.27	0.43
5	A_g	347	342	0.00	3.57	0.33	0.49
6	A_u	928	916	123.09	0.00	0.00	0.00
7	A_u	247	243	0.02	0.00	0.00	0.00
8	B_g	692	683	0.00	13.37	0.75	0.86
9	B_u	3289	3244	3.60	0.00	0.31	0.48
10	B_u	1723	1699	118.24	0.00	0.00	0.00
11	B_u	1103	1087	384.86	0.00	0.00	0.00
12	B_u	281	277	6.56	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.307	-0.585
C2	-0.307	0.585
N3	0.307	-1.844
N4	-0.307	1.844
H5	1.272	-2.226
H6	-1.272	2.226

	C1	C2	N3	N4	H5	H6
C1		1.3213	1.2593	2.5056	1.9031	3.2235
C2	1.3213		2.5056	1.2593	3.2235	1.9031
N3	1.2593	2.5056		3.7392	1.0370	4.3652
N4	2.5056	1.2593	3.7392		4.3652	1.0370
H5	1.9031	3.2235	1.0370	4.3652		5.1263
H6	3.2235	1.9031	4.3652	1.0370	5.1263

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.290		C1	N3	H5	111.577
C2	C1	N3	152.290		C2	N4	H6	111.577

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/6-31G**

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	0.226
2	C	0.226
3	N	-0.495
4	N	-0.495
5	H	0.270
6	H	0.270

	x	y	z
x	3.985	-2.554	0.000
y	-2.554	10.117	0.000
z	0.000	0.000	2.064

<r²>	80.774
(<r²>)^1/2	8.987