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	hartrees
Energy at 0K	-186.822468
Energy at 298.15K
HF Energy	-186.822468
Nuclear repulsion energy	90.012301

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	3441	3441	0.00	649.01	0.31	0.48
2	A_g	2213	2213	0.00	30.60	0.38	0.56
3	A_g	1170	1170	0.00	25.64	0.56	0.72
4	A_g	947	947	0.00	50.96	0.16	0.28
5	A_g	301	301	0.00	3.37	0.51	0.67
6	A_u	970	970	120.69	0.00	0.00	0.00
7	A_u	255	255	0.01	0.00	0.00	0.00
8	B_g	676	676	0.00	3.46	0.75	0.86
9	B_u	3441	3441	15.22	0.00	0.00	0.00
10	B_u	1781	1781	196.51	0.00	0.00	0.00
11	B_u	1142	1142	358.57	0.00	0.00	0.00
12	B_u	285	285	6.85	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.211	-0.609
C2	-0.211	0.609
N3	0.211	-1.845
N4	-0.211	1.845
H5	1.152	-2.244
H6	-1.152	2.244

	C1	C2	N3	N4	H5	H6
C1		1.2885	1.2367	2.4900	1.8866	3.1615
C2	1.2885		2.4900	1.2367	3.1615	1.8866
N3	1.2367	2.4900		3.7147	1.0215	4.3105
N4	2.4900	1.2367	3.7147		4.3105	1.0215
H5	1.8866	3.1615	1.0215	4.3105		5.0446
H6	3.1615	1.8866	4.3105	1.0215	5.0446

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.866		C1	N3	H5	112.977
C2	C1	N3	160.866		C2	N4	H6	112.977

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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	0.719
2	C	0.719
3	N	-0.917
4	N	-0.917
5	H	0.198
6	H	0.198

	x	y	z
x	4.666	-1.780	0.000
y	-1.780	11.387	0.000
z	0.000	0.000	3.630

<r²>	79.987
(<r²>)^1/2	8.944