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	hartrees
Energy at 0K	-186.746858
Energy at 298.15K
HF Energy	-186.746858
Nuclear repulsion energy	89.194770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3373	3255	0.00
2	A_g	2170	2094	0.00
3	A_g	1178	1137	0.00
4	A_g	943	910	0.00
5	A_g	300	290	0.00
6	A_u	954	921	117.75
7	A_u	253	244	0.02
8	B_g	685	661	0.00
9	B_u	3374	3256	6.53
10	B_u	1775	1713	161.01
11	B_u	1142	1102	379.41
12	B_u	285	275	6.49

Atom	x (Å)	y (Å)
C1	0.261	-0.600
C2	-0.261	0.600
N3	0.261	-1.849
N4	-0.261	1.849
H5	1.223	-2.225
H6	-1.223	2.225

	C1	C2	N3	N4	H5	H6
C1		1.3091	1.2484	2.5039	1.8881	3.1912
C2	1.3091		2.5039	1.2484	3.1912	1.8881
N3	1.2484	2.5039		3.7339	1.0329	4.3355
N4	2.5039	1.2484	3.7339		4.3355	1.0329
H5	1.8881	3.1912	1.0329	4.3355		5.0778
H6	3.1912	1.8881	4.3355	1.0329	5.0778

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.487		C1	N3	H5	111.368
C2	C1	N3	156.487		C2	N4	H6	111.368

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3PW91/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	0.021
2	C	0.021
3	N	-0.162
4	N	-0.162
5	H	0.140
6	H	0.140

	x	y	z
x	3.753	-2.328	0.000
y	-2.328	10.012	0.000
z	0.000	0.000	2.253

<r²>	80.347
(<r²>)^1/2	8.964