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	hartrees
Energy at 0K	-186.669895
Energy at 298.15K
HF Energy	-186.669895
Nuclear repulsion energy	89.116011

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	3287	3287	0.00	868.50	0.31	0.47
2	A_g	2053	2053	0.00	19.53	0.41	0.59
3	A_g	1139	1139	0.00	40.24	0.45	0.62
4	A_g	915	915	0.00	49.07	0.15	0.26
5	A_g	335	335	0.00	1.63	0.59	0.74
6	A_u	928	928	109.20	0.00	0.00	0.00
7	A_u	246	246	0.07	0.00	0.00	0.00
8	B_g	677	677	0.00	3.62	0.75	0.86
9	B_u	3287	3287	2.67	0.00	0.00	0.00
10	B_u	1707	1707	144.99	0.00	0.00	0.00
11	B_u	1096	1096	369.08	0.00	0.00	0.00
12	B_u	276	276	6.47	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.277	-0.593
C2	-0.277	0.593
N3	0.277	-1.844
N4	-0.277	1.844
H5	1.229	-2.244
H6	-1.229	2.244

	C1	C2	N3	N4	H5	H6
C1		1.3089	1.2510	2.4989	1.9058	3.2119
C2	1.3089		2.4989	1.2510	3.2119	1.9058
N3	1.2510	2.4989		3.7291	1.0326	4.3564
N4	2.4989	1.2510	3.7291		4.3564	1.0326
H5	1.9058	3.2119	1.0326	4.3564		5.1170
H6	3.2119	1.9058	4.3564	1.0326	5.1170

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.935		C1	N3	H5	112.794
C2	C1	N3	154.935		C2	N4	H6	112.794

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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	0.361
2	C	0.361
3	N	-0.682
4	N	-0.682
5	H	0.321
6	H	0.321

	x	y	z
x	5.289	-2.194	0.000
y	-2.194	11.853	0.000
z	0.000	0.000	3.908

<r²>	80.917
(<r²>)^1/2	8.995