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	hartrees
Energy at 0K	-186.669610
Energy at 298.15K
HF Energy	-186.669610
Nuclear repulsion energy	89.115196

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	3288	3266	0.00	856.47	0.31	0.47
2	A_g	2055	2041	0.00	20.93	0.40	0.57
3	A_g	1139	1131	0.00	38.72	0.47	0.64
4	A_g	915	909	0.00	48.92	0.15	0.26
5	A_g	334	332	0.00	1.65	0.60	0.75
6	A_u	928	922	109.24	0.00	0.00	0.00
7	A_u	246	245	0.07	0.00	0.00	0.00
8	B_g	677	673	0.00	3.64	0.75	0.86
9	B_u	3287	3266	2.79	0.00	0.00	0.00
10	B_u	1707	1696	145.15	0.00	0.00	0.00
11	B_u	1097	1089	368.73	0.00	0.00	0.00
12	B_u	276	274	6.44	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		1.3088	1.2510	2.4991	1.9057	3.2116
C2	1.3088		2.4991	1.2510	3.2116	1.9057
N3	1.2510	2.4991		3.7294	1.0326	4.3563
N4	2.4991	1.2510	3.7294		4.3563	1.0326
H5	1.9057	3.2116	1.0326	4.3563		5.1166
H6	3.2116	1.9057	4.3563	1.0326	5.1166

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	154.988		C1	N3	H5	112.783
C2	C1	N3	154.988		C2	N4	H6	112.783

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/aug-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	0.160
2	C	0.160
3	N	-0.296
4	N	-0.296
5	H	0.137
6	H	0.137

	x	y	z
x	5.264	-2.194	0.000
y	-2.194	11.830	0.000
z	0.000	0.000	3.879

<r²>	80.923
(<r²>)^1/2	8.996