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	hartrees
Energy at 0K	-31.268682
Energy at 298.15K
HF Energy	-31.268682
Nuclear repulsion energy	45.202137

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	3716	3349	0.00	652.86	0.33	0.50
2	A_g	2298	2071	0.00	129.69	0.39	0.56
3	A_g	1234	1112	0.00	33.11	0.61	0.76
4	A_g	977	881	0.00	61.32	0.23	0.38
5	A_g	335	302	0.00	20.54	0.45	0.62
6	A_u	1043	940	204.79	0.00	0.00	0.00
7	A_u	273	246	0.09	0.00	0.00	0.00
8	B_g	748	674	0.00	26.84	0.75	0.86
9	B_u	3716	3350	58.44	0.00	0.00	0.00
10	B_u	1846	1664	289.54	0.00	0.00	0.00
11	B_u	1153	1040	782.85	0.00	0.00	0.00
12	B_u	301	271	10.12	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.256	-0.612
C2	-0.256	0.612
N3	0.256	-1.863
N4	-0.256	1.863
H5	1.160	-2.320
H6	-1.160	2.320

	C1	C2	N3	N4	H5	H6
C1		1.3275	1.2511	2.5282	1.9323	3.2566
C2	1.3275		2.5282	1.2511	3.2566	1.9323
N3	1.2511	2.5282		3.7619	1.0127	4.4168
N4	2.5282	1.2511	3.7619		4.4168	1.0127
H5	1.9323	3.2566	1.0127	4.4168		5.1881
H6	3.2566	1.9323	4.4168	1.0127	5.1881

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.285		C1	N3	H5	116.812
C2	C1	N3	157.285		C2	N4	H6	116.812

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: HF/CEP-31G

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	-0.297
2	C	-0.297
3	N	-0.012
4	N	-0.012
5	H	0.309
6	H	0.309

	x	y	z
x	3.767	-2.651	0.000
y	-2.651	11.205	0.000
z	0.000	0.000	2.313

<r²>	66.751
(<r²>)^1/2	8.170