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	hartrees
Energy at 0K	-318.151436
Energy at 298.15K	-318.160632
HF Energy	-318.151436
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	228.262632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3935	3575	111.58
2	A	3916	3558	106.09
3	A	3771	3426	8.55
4	A	3716	3376	371.38
5	A	3605	3276	408.77
6	A	3227	2932	66.63
7	A	3160	2871	131.16
8	A	1926	1750	804.09
9	A	1861	1691	189.66
10	A	1807	1642	27.52
11	A	1788	1624	17.33
12	A	1562	1420	64.33
13	A	1556	1414	23.66
14	A	1457	1324	64.59
15	A	1423	1293	161.27
16	A	1237	1124	105.68
17	A	1196	1087	10.28
18	A	1192	1083	0.62
19	A	1183	1075	0.74
20	A	1181	1073	10.90
21	A	857	778	176.04
22	A	851	773	2.19
23	A	733	666	98.66
24	A	674	612	17.70
25	A	619	562	10.23
26	A	475	431	136.43
27	A	342	311	128.31
28	A	185	168	56.83
29	A	151	137	0.14
30	A	144	131	15.37
31	A	141	128	5.34
32	A	101	92	144.81
33	A	54	49	2.43

Atom	x (Å)	y (Å)	z (Å)
H1	0.616	1.216	0.018
N2	1.613	1.075	0.020
N3	-1.465	1.177	-0.008
C4	2.119	-0.156	-0.006
O5	1.479	-1.170	-0.035
C6	-2.121	0.098	-0.019
N7	-1.563	-1.120	0.064
H8	-0.568	-1.222	0.036
H9	2.218	1.859	0.050
H10	3.210	-0.184	0.002
H11	-2.072	1.968	-0.058
H12	-3.203	0.074	-0.081
H13	-2.122	-1.925	-0.072

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0068	2.0811	2.0354	2.5377	2.9564	3.1944	2.7097	1.7266	2.9478	2.7924	3.9868	4.1675
N2	1.0068		3.0793	1.3317	2.2498	3.8595	3.8607	3.1671	0.9907	2.0340	3.7925	4.9195	4.7914
N3	2.0811	3.0793		3.8236	3.7648	1.2629	2.3000	2.5611	3.7457	4.8688	0.9990	2.0595	3.1713
C4	2.0354	1.3317	3.8236		1.1991	4.2473	3.8064	2.8905	2.0184	1.0914	4.6992	5.3274	4.5955
O5	2.5377	2.2498	3.7648	1.1991		3.8164	3.0438	2.0486	3.1189	1.9924	4.7392	4.8447	3.6795
C6	2.9564	3.8595	1.2629	4.2473	3.8164		1.3420	2.0386	4.6830	5.3382	1.8716	1.0842	2.0233
N7	3.1944	3.8607	2.3000	3.8064	3.0438	1.3420		1.0006	4.8133	4.8641	3.1323	2.0343	0.9895
H8	2.7097	3.1671	2.5611	2.8905	2.0486	2.0386	1.0006		4.1533	3.9178	3.5282	2.9392	1.7094
H9	1.7266	0.9907	3.7457	2.0184	3.1189	4.6830	4.8133	4.1533		2.2716	4.2929	5.7084	5.7591
H10	2.9478	2.0340	4.8688	1.0914	1.9924	5.3382	4.8641	3.9178	2.2716		5.7042	6.4187	5.6095
H11	2.7924	3.7925	0.9990	4.6992	4.7392	1.8716	3.1323	3.5282	4.2929	5.7042		2.2056	3.8935
H12	3.9868	4.9195	2.0595	5.3274	4.8447	1.0842	2.0343	2.9392	5.7084	6.4187	2.2056		2.2731
H13	4.1675	4.7914	3.1713	4.5955	3.6795	2.0233	0.9895	1.7094	5.7591	5.6095	3.8935	2.2731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.369	H1	N2	H9	119.630
H1	N3	C6	122.374	H1	N3	H11	126.426
N2	H1	N3	170.873	N2	C4	O5	125.402
N2	C4	H10	113.791	N3	C6	N7	123.972
N3	C6	H12	122.489	C4	N2	H9	119.998
C4	O5	H8	123.620	O5	C4	H10	120.808
O5	H8	N7	172.707	C6	N3	H11	111.135
C6	N7	H8	120.261	C6	N7	H13	119.647
N7	C6	H12	113.531	H8	N7	H13	118.394

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

using model chemistry: HF/TZVP

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	0.315
2	N	-0.439
3	N	-0.501
4	C	0.381
5	O	-0.534
6	C	0.164
7	N	-0.422
8	H	0.288
9	H	0.233
10	H	0.047
11	H	0.174
12	H	0.064
13	H	0.231

	x	y	z	Total
	-1.085	1.750	-0.297	2.080
CHELPG
AIM
ESP

	x	y	z
x	7.591	0.681	0.069
y	0.681	8.865	0.003
z	0.069	0.003	4.358

<r²>	228.233
(<r²>)^1/2	15.107

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

using model chemistry: HF/TZVP

States and conformations

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