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	hartrees
Energy at 0K	-319.909715
Energy at 298.15K	-319.900597
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3539	74.25
2	A	3657	3503	51.80
3	A	3516	3368	1.32
4	A	3361	3220	760.51
5	A	3153	3020	723.20
6	A	3071	2942	128.57
7	A	2978	2853	216.67
8	A	1809	1733	540.84
9	A	1760	1686	111.91
10	A	1691	1620	7.14
11	A	1672	1602	3.53
12	A	1453	1392	35.10
13	A	1442	1381	12.68
14	A	1385	1326	29.08
15	A	1362	1305	89.71
16	A	1171	1121	74.08
17	A	1131	1083	1.89
18	A	1117	1070	3.10
19	A	1068	1024	9.37
20	A	1054	1010	0.56
21	A	905	867	100.86
22	A	814	780	9.73
23	A	752	720	163.98
24	A	651	623	11.31
25	A	593	568	6.53
26	A	493	472	110.19
27	A	347	333	88.79
28	A	240	230	77.61
29	A	187	179	1.43
30	A	165	158	0.74
31	A	151	145	9.65
32	A	106	102	117.94
33	A	60	57	1.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.461	1.216	0.019
N2	1.494	1.105	0.018
N3	-1.431	1.182	-0.005
C4	2.060	-0.113	-0.007
O5	1.460	-1.189	-0.031
C6	-2.065	0.058	-0.021
N7	-1.451	-1.142	0.065
H8	-0.426	-1.201	0.037
H9	2.083	1.925	0.040
H10	3.167	-0.086	-0.006
H11	-2.084	1.961	-0.051
H12	-3.158	-0.012	-0.086
H13	-1.983	-1.983	-0.087

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0387	1.8924	2.0792	2.6045	2.7794	3.0361	2.5754	1.7694	3.0026	2.6529	3.8237	4.0275
N2	1.0387		2.9257	1.3429	2.2940	3.7099	3.7041	3.0008	1.0096	2.0534	3.6796	4.7855	4.6512
N3	1.8924	2.9257		3.7230	3.7386	1.2906	2.3247	2.5868	3.5911	4.7689	1.0179	2.1016	3.2139
C4	2.0792	1.3429	3.7230		1.2317	4.1285	3.6591	2.7142	2.0383	1.1071	4.6341	5.2198	4.4551
O5	2.6045	2.2940	3.7386	1.2317		3.7393	2.9131	1.8876	3.1756	2.0317	4.7416	4.7664	3.5340
C6	2.7794	3.7099	1.2906	4.1285	3.7393		1.3505	2.0680	4.5486	5.2337	1.9035	1.0974	2.0440
N7	3.0361	3.7041	2.3247	3.6591	2.9131	1.3505		1.0270	4.6784	4.7372	3.1689	2.0528	1.0071
H8	2.5754	3.0008	2.5868	2.7142	1.8876	2.0680	1.0270		4.0082	3.7621	3.5720	2.9826	1.7465
H9	1.7694	1.0096	3.5911	2.0383	3.1756	4.5486	4.6784	4.0082		2.2849	4.1675	5.5886	5.6404
H10	3.0026	2.0534	4.7689	1.1071	2.0317	5.2337	4.7372	3.7621	2.2849		5.6357	6.3259	5.4884
H11	2.6529	3.6796	1.0179	4.6341	4.7416	1.9035	3.1689	3.5720	4.1675	5.6357		2.2470	3.9459
H12	3.8237	4.7855	2.1016	5.2198	4.7664	1.0974	2.0528	2.9826	5.5886	6.3259	2.2470		2.2951
H13	4.0275	4.6512	3.2139	4.4551	3.5340	2.0440	1.0071	1.7465	5.6404	5.4884	3.9459	2.2951

Number	Element	Mulliken
1	H	0.410
2	N	-0.729
3	N	-0.640
4	C	0.359
5	O	-0.486
6	C	0.259
7	N	-0.735
8	H	0.396
9	H	0.323
10	H	0.105
11	H	0.287
12	H	0.122
13	H	0.328

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

using model chemistry: B3LYPultrafine_cp/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
	-1.294	1.547	-0.323	2.042
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>	218.872
(<r²>)^1/2	14.794

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

using model chemistry: B3LYPultrafine_cp/6-31G*

States and conformations

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