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	hartrees
Energy at 0K	-185.714842
Energy at 298.15K
HF Energy	-185.714842
Nuclear repulsion energy	89.423031

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	3245	3098	0.00	959.16	0.31	0.48
2	A_g	2346	2240	0.00	3.45	0.45	0.62
3	A_g	1168	1115	0.00	36.31	0.74	0.85
4	A_g	951	908	0.00	30.20	0.31	0.47
5	A_g	457	437	0.00	4.45	0.67	0.80
6	A_u	994	949	160.69	0.00	0.00	0.00
7	A_u	308	294	0.13	0.00	0.00	0.00
8	B_g	873	833	0.00	3.45	0.75	0.86
9	B_u	3245	3098	13.25	0.00	0.00	0.00
10	B_u	1789	1708	110.17	0.00	0.00	0.00
11	B_u	1151	1099	491.48	0.00	0.00	0.00
12	B_u	317	303	42.30	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.008	-0.638
C2	-0.008	0.638
N3	-0.008	-1.882
N4	0.008	1.882
H5	0.920	-2.351
H6	-0.920	2.351

	C1	C2	N3	N4	H5	H6
C1		1.2752	1.2446	2.5196	1.9417	3.1297
C2	1.2752		2.5196	1.2446	3.1297	1.9417
N3	1.2446	2.5196		3.7642	1.0399	4.3307
N4	2.5196	1.2446	3.7642		4.3307	1.0399
H5	1.9417	3.1297	1.0399	4.3307		5.0501
H6	3.1297	1.9417	4.3307	1.0399	5.0501

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	178.597		C1	N3	H5	116.118
C2	C1	N3	178.597		C2	N4	H6	116.118

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/3-21G

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	0.435
2	C	0.435
3	N	-0.734
4	N	-0.734
5	H	0.299
6	H	0.299

	x	y	z
x	2.253	-1.097	0.000
y	-1.097	10.126	0.000
z	0.000	0.000	1.531

<r²>	81.093
(<r²>)^1/2	9.005