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	hartrees
Energy at 0K	-186.862438
Energy at 298.15K
HF Energy	-186.862438
Nuclear repulsion energy	89.648095

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	3375	3263	0.00	821.74	0.31	0.48
2	A_g	2174	2102	0.00	25.60	0.40	0.57
3	A_g	1182	1143	0.00	24.50	0.74	0.85
4	A_g	936	905	0.00	35.67	0.26	0.42
5	A_g	289	280	0.00	4.00	0.42	0.59
6	A_u	966	934	130.88	0.00	0.00	0.00
7	A_u	256	247	0.00	0.00	0.00	0.00
8	B_g	677	655	0.00	8.18	0.75	0.86
9	B_u	3375	3263	4.12	0.00	0.00	0.00
10	B_u	1755	1697	158.59	0.00	0.00	0.00
11	B_u	1151	1112	386.87	0.00	0.00	0.00
12	B_u	284	275	6.92	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.226	-0.606
C2	-0.226	0.606
N3	0.226	-1.849
N4	-0.226	1.849
H5	1.173	-2.243
H6	-1.173	2.243

	C1	C2	N3	N4	H5	H6
C1		1.2938	1.2430	2.4965	1.8911	3.1740
C2	1.2938		2.4965	1.2430	3.1740	1.8911
N3	1.2430	2.4965		3.7257	1.0261	4.3245
N4	2.4965	1.2430	3.7257		4.3245	1.0261
H5	1.8911	3.1740	1.0261	4.3245		5.0624
H6	3.1740	1.8911	4.3245	1.0261	5.0624

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	159.563		C1	N3	H5	112.558
C2	C1	N3	159.563		C2	N4	H6	112.558

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3LYP/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	0.131
2	C	0.131
3	N	-0.339
4	N	-0.339
5	H	0.208
6	H	0.208

	x	y	z
x	3.723	-2.128	0.000
y	-2.128	10.376	0.000
z	0.000	0.000	2.371

<r²>	80.247
(<r²>)^1/2	8.958