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	hartrees
Energy at 0K	-185.762075
Energy at 298.15K
HF Energy	-185.762075
Nuclear repulsion energy	91.017821

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	3664	3329	0.00	532.91	0.30	0.46
2	A_g	2427	2205	0.00	94.26	0.36	0.53
3	A_g	1268	1152	0.00	15.67	0.56	0.71
4	A_g	997	906	0.00	63.67	0.16	0.28
5	A_g	333	303	0.00	6.31	0.62	0.76
6	A_u	1047	951	146.76	0.00	0.00	0.00
7	A_u	276	251	0.61	0.00	0.00	0.00
8	B_g	700	636	0.00	5.33	0.75	0.86
9	B_u	3665	3330	58.09	0.00	0.00	0.00
10	B_u	1881	1709	357.19	0.00	0.00	0.00
11	B_u	1263	1148	346.15	0.00	0.00	0.00
12	B_u	316	287	11.58	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.119	-0.625
C2	-0.119	0.625
N3	0.119	-1.845
N4	-0.119	1.845
H5	1.044	-2.238
H6	-1.044	2.238

	C1	C2	N3	N4	H5	H6
C1		1.2716	1.2206	2.4811	1.8602	3.0904
C2	1.2716		2.4811	1.2206	3.0904	1.8602
N3	1.2206	2.4811		3.6979	1.0052	4.2461
N4	2.4811	1.2206	3.6979		4.2461	1.0052
H5	1.8602	3.0904	1.0052	4.2461		4.9401
H6	3.0904	1.8602	4.2461	1.0052	4.9401

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	169.193		C1	N3	H5	113.036
C2	C1	N3	169.193		C2	N4	H6	113.036

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/aug-cc-pVQZ

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	0.356
2	C	0.356
3	N	-0.685
4	N	-0.685
5	H	0.329
6	H	0.329

	x	y	z
x	4.288	-1.313	0.000
y	-1.313	11.380	0.000
z	0.000	0.000	3.661

<r²>	79.257
(<r²>)^1/2	8.903