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	hartrees
Energy at 0K	-318.255392
Energy at 298.15K
HF Energy	-318.255392
Nuclear repulsion energy	233.618957

Atom	x (Å)	y (Å)	z (Å)
H1	0.301	1.202	0.003
N2	1.381	1.106	0.003
N3	-1.359	1.169	-0.001
C4	1.969	-0.086	-0.001
O5	1.392	-1.181	-0.001
C6	-1.975	0.033	-0.001
N7	-1.338	-1.139	0.002
H8	-0.281	-1.180	0.001
H9	1.971	1.936	-0.000
H10	3.087	-0.050	-0.005
H11	-2.012	1.957	-0.003
H12	-3.080	-0.045	-0.002
H13	-1.873	-2.002	0.001

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0839	1.6603	2.1068	2.6208	2.5596	2.8584	2.4520	1.8242	3.0539	2.4335	3.6043	3.8722
N2	1.0839		2.7403	1.3287	2.2871	3.5240	3.5266	2.8264	1.0189	2.0607	3.4981	4.6075	4.5000
N3	1.6603	2.7403		3.5563	3.6182	1.2934	2.3089	2.5844	3.4169	4.6096	1.0233	2.1070	3.2129
C4	2.1068	1.3287	3.5563		1.2380	3.9462	3.4712	2.5024	2.0222	1.1182	4.4743	5.0496	4.2937
O5	2.6208	2.2871	3.6182	1.2380		3.5797	2.7309	1.6737	3.1709	2.0371	4.6298	4.6147	3.3671
C6	2.5596	3.5240	1.2934	3.9462	3.5797		1.3339	2.0831	4.3819	5.0628	1.9246	1.1077	2.0371
N7	2.8584	3.5266	2.3089	3.4712	2.7309	1.3339		1.0577	4.5183	4.5571	3.1687	2.0574	1.0150
H8	2.4520	2.8264	2.5844	2.5024	1.6737	2.0831	1.0577		3.8453	3.5525	3.5824	3.0204	1.7916
H9	1.8242	1.0189	3.4169	2.0222	3.1709	4.3819	4.5183	3.8453		2.2787	3.9832	5.4263	5.5038
H10	3.0539	2.0607	4.6096	1.1182	2.0371	5.0628	4.5571	3.5525	2.2787		5.4795	6.1672	5.3301
H11	2.4335	3.4981	1.0233	4.4743	4.6298	1.9246	3.1687	3.5824	3.9832	5.4795		2.2690	3.9613
H12	3.6043	4.6075	2.1070	5.0496	4.6147	1.1077	2.0574	3.0204	5.4263	6.1672	2.2690		2.2996
H13	3.8722	4.5000	3.2129	4.2937	3.3671	2.0371	1.0150	1.7916	5.5038	5.3301	3.9613	2.2996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.341	H1	N2	H9	120.314
H1	N3	C6	119.608	H1	N3	H11	128.565
N2	H1	N3	173.799	N2	C4	O5	125.968
N2	C4	H10	114.459	N3	C6	N7	122.986
N3	C6	H12	122.491	C4	N2	H9	118.343
C4	O5	H8	117.726	O5	C4	H10	119.573
O5	H8	N7	177.850	C6	N3	H11	111.827
C6	N7	H8	120.719	C6	N7	H13	119.671
N7	C6	H12	114.523	H8	N7	H13	119.610

Number	Element	Mulliken
1	H	0.387
2	N	-0.696
3	N	-0.640
4	C	0.261
5	O	-0.440
6	C	0.201
7	N	-0.715
8	H	0.384
9	H	0.334
10	H	0.124
11	H	0.310
12	H	0.145
13	H	0.344

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

using model chemistry: SVWN/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
	-1.582	1.532	-0.009	2.202
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>	204.379
(<r²>)^1/2	14.296

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

using model chemistry: SVWN/6-31G*

States and conformations

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