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	hartrees
Energy at 0K	-319.578454
Energy at 298.15K
Nuclear repulsion energy	230.471361

Atom	x (Å)	y (Å)	z (Å)
H1	0.428	1.207	0.006
N2	1.464	1.103	0.003
N3	-1.419	1.175	-0.001
C4	2.038	-0.103	-0.002
O5	1.451	-1.182	-0.004
C6	-2.044	0.049	-0.003
N7	-1.420	-1.139	0.009
H8	-0.394	-1.195	0.006
H9	2.045	1.926	0.005
H10	3.144	-0.068	-0.004
H11	-2.077	1.948	-0.007
H12	-3.138	-0.027	-0.012
H13	-1.954	-1.989	-0.011

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0408	1.8481	2.0756	2.5988	2.7298	2.9867	2.5392	1.7695	3.0004	2.6128	3.7741	3.9866
N2	1.0408		2.8843	1.3361	2.2854	3.6628	3.6533	2.9558	1.0075	2.0483	3.6405	4.7391	4.6096
N3	1.8481	2.8843		3.6863	3.7144	1.2875	2.3141	2.5825	3.5450	4.7300	1.0150	2.0975	3.2094
C4	2.0756	1.3361	3.6863		1.2283	4.0848	3.6102	2.6665	2.0295	1.1066	4.5982	5.1771	4.4155
O5	2.5988	2.2854	3.7144	1.2283		3.7055	2.8717	1.8457	3.1646	2.0266	4.7167	4.7327	3.4996
C6	2.7298	3.6628	1.2875	4.0848	3.7055		1.3418	2.0662	4.4991	5.1893	1.8994	1.0972	2.0406
N7	2.9867	3.6533	2.3141	3.6102	2.8717	1.3418		1.0274	4.6264	4.6884	3.1563	2.0467	1.0044
H8	2.5392	2.9558	2.5825	2.6665	1.8457	2.0662	1.0274		3.9617	3.7138	3.5656	2.9824	1.7503
H9	1.7695	1.0075	3.5450	2.0295	3.1646	4.4991	4.6264	3.9617		2.2774	4.1222	5.5392	5.5970
H10	3.0004	2.0483	4.7300	1.1066	2.0266	5.1893	4.6884	3.7138	2.2774		5.5972	6.2827	5.4483
H11	2.6128	3.6405	1.0150	4.5982	4.7167	1.8994	3.1563	3.5656	4.1222	5.5972		2.2422	3.9396
H12	3.7741	4.7391	2.0975	5.1771	4.7327	1.0972	2.0467	2.9824	5.5392	6.2827	2.2422		2.2922
H13	3.9866	4.6096	3.2094	4.4155	3.4996	2.0406	1.0044	1.7503	5.5970	5.4483	3.9396	2.2922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.168	H1	N2	H9	119.503
H1	N3	C6	119.994	H1	N3	H11	129.399
N2	H1	N3	173.286	N2	C4	O5	125.999
N2	C4	H10	113.644	N3	C6	N7	123.297
N3	C6	H12	122.981	C4	N2	H9	119.328
C4	O5	H8	118.957	O5	C4	H10	120.357
O5	H8	N7	176.444	C6	N3	H11	110.607
C6	N7	H8	120.834	C6	N7	H13	120.173
N7	C6	H12	113.722	H8	N7	H13	118.962

Number	Element	Mulliken
1	H	0.434
2	N	-0.774
3	N	-0.683
4	C	0.351
5	O	-0.500
6	C	0.253
7	N	-0.782
8	H	0.420
9	H	0.344
10	H	0.128
11	H	0.309
12	H	0.148
13	H	0.351

All results from a given calculation for HCONH₂CN₂H₄ (formamide aminomethanimine dimer)

using model chemistry: HSEh1PBE/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	-1.380	1.515	-0.040	2.049
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	214.969
(<r²>)^1/2	14.662

All results from a given calculation for HCONH2CN2H4 (formamide aminomethanimine dimer)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for HCONH₂CN₂H₄ (formamide aminomethanimine dimer)