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	hartrees
Energy at 0K	-186.627200
Energy at 298.15K
HF Energy	-186.627200
Nuclear repulsion energy	88.545312

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	3284	3264	0.00	818.49	0.31	0.47
2	A_g	2034	2022	0.00	26.55	0.35	0.52
3	A_g	1139	1132	0.00	36.56	0.52	0.68
4	A_g	912	906	0.00	49.03	0.15	0.26
5	A_g	347	345	0.00	1.90	0.61	0.76
6	A_u	918	913	109.86	0.00	0.00	0.00
7	A_u	243	241	0.12	0.00	0.00	0.00
8	B_g	686	682	0.00	4.08	0.75	0.86
9	B_u	3284	3264	3.02	0.00	0.31	0.47
10	B_u	1703	1692	147.63	0.00	0.00	0.00
11	B_u	1092	1086	369.59	0.00	0.00	0.00
12	B_u	274	273	7.12	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.307	-0.587
C2	-0.307	0.587
N3	0.307	-1.846
N4	-0.307	1.846
H5	1.268	-2.236
H6	-1.268	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3242	1.2596	2.5091	1.9095	3.2328
C2	1.3242		2.5091	1.2596	3.2328	1.9095
N3	1.2596	2.5091		3.7431	1.0376	4.3760
N4	2.5091	1.2596	3.7431		4.3760	1.0376
H5	1.9095	3.2328	1.0376	4.3760		5.1421
H6	3.2328	1.9095	4.3760	1.0376	5.1421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	152.380		C1	N3	H5	112.087
C2	C1	N3	152.380		C2	N4	H6	112.087

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.184
2	C	0.184
3	N	-0.229
4	N	-0.229
5	H	0.045
6	H	0.045

	x	y	z
x	5.374	-2.351	0.000
y	-2.351	11.800	0.000
z	0.000	0.000	3.822

<r²>	81.566
(<r²>)^1/2	9.031