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	hartrees
Energy at 0K	-185.739431
Energy at 298.15K
HF Energy	-185.739431
Nuclear repulsion energy	91.004739

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	3662	3327	0.00	594.03	0.32	0.48
2	A_g	2425	2204	0.00	100.72	0.37	0.54
3	A_g	1262	1147	0.00	17.39	0.69	0.82
4	A_g	1003	911	0.00	56.12	0.24	0.39
5	A_g	358	325	0.00	11.22	0.43	0.61
6	A_u	1054	958	166.81	0.00	0.00	0.00
7	A_u	274	249	0.32	0.00	0.00	0.00
8	B_g	702	637	0.00	11.75	0.75	0.86
9	B_u	3663	3328	47.90	0.00	0.00	0.00
10	B_u	1891	1718	350.26	0.00	0.00	0.00
11	B_u	1249	1135	367.54	0.00	0.00	0.00
12	B_u	312	283	13.24	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.148	-0.619
C2	-0.148	0.619
N3	0.148	-1.840
N4	-0.148	1.840
H5	1.076	-2.231
H6	-1.076	2.231

	C1	C2	N3	N4	H5	H6
C1		1.2729	1.2211	2.4770	1.8601	3.1016
C2	1.2729		2.4770	1.2211	3.1016	1.8601
N3	1.2211	2.4770		3.6922	1.0071	4.2510
N4	2.4770	1.2211	3.6922		4.2510	1.0071
H5	1.8601	3.1016	1.0071	4.2510		4.9537
H6	3.1016	1.8601	4.2510	1.0071	4.9537

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	166.594		C1	N3	H5	112.836
C2	C1	N3	166.594		C2	N4	H6	112.836

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/TZVP

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	-0.001
2	C	-0.001
3	N	-0.212
4	N	-0.212
5	H	0.212
6	H	0.212

	x	y	z
x	3.509	-1.636	0.000
y	-1.636	11.005	0.000
z	0.000	0.000	2.628

<r²>	79.173
(<r²>)^1/2	8.898