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	hartrees
Energy at 0K	-186.673039
Energy at 298.15K
HF Energy	-186.673039
Nuclear repulsion energy	89.105040

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	3291	3251	0.00	861.52	0.31	0.47
2	A_g	2058	2033	0.00	22.00	0.41	0.58
3	A_g	1141	1127	0.00	29.39	0.65	0.79
4	A_g	915	904	0.00	42.14	0.19	0.32
5	A_g	325	321	0.00	3.65	0.36	0.53
6	A_u	931	920	112.75	0.00	0.00	0.00
7	A_u	247	244	0.06	0.00	0.00	0.00
8	B_g	677	669	0.00	6.26	0.75	0.86
9	B_u	3290	3250	1.90	0.00	0.00	0.00
10	B_u	1710	1689	135.09	0.00	0.00	0.00
11	B_u	1097	1084	380.57	0.00	0.00	0.00
12	B_u	276	272	6.88	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.276	-0.594
C2	-0.276	0.594
N3	0.276	-1.845
N4	-0.276	1.845
H5	1.229	-2.243
H6	-1.229	2.243

	C1	C2	N3	N4	H5	H6
C1		1.3093	1.2510	2.4999	1.9047	3.2109
C2	1.3093		2.4999	1.2510	3.2109	1.9047
N3	1.2510	2.4999		3.7303	1.0328	4.3556
N4	2.4999	1.2510	3.7303		4.3556	1.0328
H5	1.9047	3.2109	1.0328	4.3556		5.1148
H6	3.2109	1.9047	4.3556	1.0328	5.1148

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.069		C1	N3	H5	112.679
C2	C1	N3	155.069		C2	N4	H6	112.679

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.014
2	C	-0.014
3	N	-0.180
4	N	-0.180
5	H	0.194
6	H	0.194

	x	y	z
x	4.741	-2.294	0.000
y	-2.294	11.228	0.000
z	0.000	0.000	3.238

<r²>	80.803
(<r²>)^1/2	8.989