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	hartrees
Energy at 0K	-318.064163
Energy at 298.15K	-318.073316
Counterpoise corrected energy	-318.063186
CP Energy at 298.15K	-318.072340
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	227.750481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3969	3588	132.37
2	A'	3940	3563	119.32
3	A'	3800	3436	9.78
4	A'	3741	3383	396.32
5	A'	3630	3282	422.03
6	A'	3255	2943	68.56
7	A'	3197	2891	126.11
8	A'	1935	1750	847.73
9	A'	1870	1690	212.27
10	A'	1811	1638	25.67
11	A'	1789	1618	19.73
12	A'	1564	1414	60.05
13	A'	1549	1401	27.59
14	A'	1460	1320	66.49
15	A'	1432	1295	161.75
16	A'	1238	1120	112.05
17	A'	1196	1082	3.25
18	A'	1189	1075	5.61
19	A'	669	605	18.31
20	A'	617	558	11.38
21	A'	186	168	58.31
22	A'	152	137	0.16
23	A'	143	129	3.76
24	A"	1190	1076	0.02
25	A"	1187	1073	0.27
26	A"	875	791	148.38
27	A"	850	768	50.03
28	A"	741	670	97.38
29	A"	497	449	142.82
30	A"	331	299	105.29
31	A"	151	137	13.74
32	A"	83	75	157.61
33	A"	46	41	1.59

Atom	x (Å)	y (Å)
H1	-0.049	-1.352
N2	-1.013	-1.649
N3	1.834	-0.460
C4	-1.996	-0.748
O5	-1.844	0.449
C6	1.973	0.801
N7	0.947	1.666
H8	0.000	1.339
H9	-1.226	-2.617
H10	-2.996	-1.184
H11	2.722	-0.921
H12	2.946	1.281
H13	1.117	2.642

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0081	2.0839	2.0381	2.5422	2.9540	3.1782	2.6914	1.7283	2.9516	2.8046	3.9877	4.1605
N2	1.0081		3.0850	1.3333	2.2560	3.8623	3.8508	3.1548	0.9921	2.0372	3.8049	4.9246	4.7901
N3	2.0839	3.0850		3.8411	3.7892	1.2692	2.3041	2.5695	3.7443	4.8843	1.0002	2.0658	3.1839
C4	2.0381	1.3333	3.8411		1.2064	4.2610	3.8068	2.8882	2.0216	1.0908	4.7212	5.3422	4.6027
O5	2.5422	2.2560	3.7892	1.2064		3.8338	3.0455	2.0482	3.1277	1.9977	4.7673	4.8619	3.6853
C6	2.9540	3.8623	1.2692	4.2610	3.8338		1.3419	2.0451	4.6823	5.3511	1.8782	1.0845	2.0298
N7	3.1782	3.8508	2.3041	3.8068	3.0455	1.3419		1.0019	4.8034	4.8653	3.1376	2.0355	0.9904
H8	2.6914	3.1548	2.5695	2.8882	2.0482	2.0451	1.0019		4.1423	3.9169	3.5380	2.9463	1.7161
H9	1.7283	0.9921	3.7443	2.0216	3.1277	4.6823	4.8034	4.1423		2.2779	4.2971	5.7099	5.7578
H10	2.9516	2.0372	4.8843	1.0908	1.9977	5.3511	4.8653	3.9169	2.2779		5.7242	6.4328	5.6173
H11	2.8046	3.8049	1.0002	4.7212	4.7673	1.8782	3.1376	3.5380	4.2971	5.7242		2.2135	3.9077
H12	3.9877	4.9246	2.0658	5.3422	4.8619	1.0845	2.0355	2.9463	5.7099	6.4328	2.2135		2.2794
H13	4.1605	4.7901	3.1839	4.6027	3.6853	2.0298	0.9904	1.7161	5.7578	5.6173	3.9077	2.2794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.396	H1	N2	H9	119.550
H1	N3	C6	121.611	H1	N3	H11	127.235
N2	H1	N3	171.800	N2	C4	O5	125.254
N2	C4	H10	113.996	N3	C6	N7	123.844
N3	C6	H12	122.531	C4	N2	H9	120.055
C4	O5	H8	122.999	O5	C4	H10	120.750
O5	H8	N7	173.274	C6	N3	H11	111.154
C6	N7	H8	120.823	C6	N7	H13	120.239
N7	C6	H12	113.625	H8	N7	H13	118.938

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

using model chemistry: HF/6-31+G**

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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Number	Element	Mulliken
1	H	0.452
2	N	-0.697
3	N	-0.759
4	C	0.498
5	O	-0.673
6	C	0.287
7	N	-0.710
8	H	0.435
9	H	0.323
10	H	0.113
11	H	0.277
12	H	0.130
13	H	0.325

	x	y	z	Total
	1.735	-1.103	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	7.473	-0.151	0.000
y	-0.151	9.337	0.000
z	0.000	0.000	4.869

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-31+G**

States and conformations

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