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	hartrees
Energy at 0K	-184.342984
Energy at 298.15K
HF Energy	-184.342984
Nuclear repulsion energy	87.428111

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	3458	3039	0.00	432.39	0.32	0.48
2	A_g	2196	1930	0.00	24.18	0.34	0.50
3	A_g	1266	1113	0.00	37.30	0.73	0.85
4	A_g	967	849	0.00	26.78	0.25	0.39
5	A_g	317	279	0.00	1.05	0.23	0.38
6	A_u	968	851	88.18	0.00	0.00	0.00
7	A_u	242	213	0.13	0.00	0.00	0.00
8	B_g	699	615	0.00	15.99	0.75	0.86
9	B_u	3456	3037	10.75	0.00	0.00	0.00
10	B_u	1783	1567	16.69	0.00	0.00	0.00
11	B_u	1237	1087	281.31	0.00	0.00	0.00
12	B_u	292	257	4.67	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.298	-0.584
C2	-0.298	0.584
N3	0.298	-1.871
N4	-0.298	1.871
H5	1.319	-2.212
H6	-1.319	2.212

	C1	C2	N3	N4	H5	H6
C1		1.3108	1.2878	2.5265	1.9221	3.2299
C2	1.3108		2.5265	1.2878	3.2299	1.9221
N3	1.2878	2.5265		3.7901	1.0761	4.3923
N4	2.5265	1.2878	3.7901		4.3923	1.0761
H5	1.9221	3.2299	1.0761	4.3923		5.1512
H6	3.2299	1.9221	4.3923	1.0761	5.1512

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.929		C1	N3	H5	108.462
C2	C1	N3	152.929		C2	N4	H6	108.462

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/STO-3G

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	0.053
2	C	0.053
3	N	-0.247
4	N	-0.247
5	H	0.194
6	H	0.194

	x	y	z
x	2.298	-2.443	0.000
y	-2.443	7.316	0.000
z	0.000	0.000	0.777

<r²>	81.410
(<r²>)^1/2	9.023