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	hartrees
Energy at 0K	-318.177065
Energy at 298.15K	-318.186122
HF Energy	-318.177065
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	228.160916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3947	3577	113.80
2	A	3922	3555	104.13
3	A	3776	3422	8.45
4	A	3725	3377	387.10
5	A	3625	3285	384.85
6	A	3225	2923	63.97
7	A	3151	2857	124.12
8	A	1923	1743	762.06
9	A	1857	1683	186.65
10	A	1802	1633	25.15
11	A	1784	1617	13.74
12	A	1559	1413	57.94
13	A	1550	1405	26.50
14	A	1454	1318	65.05
15	A	1422	1289	148.33
16	A	1237	1121	113.88
17	A	1195	1083	2.06
18	A	1191	1079	0.68
19	A	1189	1078	0.91
20	A	1182	1072	7.53
21	A	856	776	94.28
22	A	853	773	45.37
23	A	731	662	75.18
24	A	670	607	16.85
25	A	618	560	10.20
26	A	467	424	121.33
27	A	311	282	89.01
28	A	178	161	59.00
29	A	150	136	11.05
30	A	144	130	2.36
31	A	138	125	3.53
32	A	84	76	136.82
33	A	37	34	8.09

Atom	x (Å)	y (Å)	z (Å)
H1	0.580	1.202	0.017
N2	1.578	1.082	0.033
N3	-1.490	1.168	-0.018
C4	2.118	-0.132	-0.006
O5	1.507	-1.162	-0.057
C6	-2.119	0.074	-0.025
N7	-1.530	-1.126	0.097
H8	-0.534	-1.197	0.051
H9	2.163	1.878	0.078
H10	3.208	-0.130	0.014
H11	-2.118	1.939	-0.088
H12	-3.197	0.024	-0.107
H13	-2.056	-1.938	-0.108

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0048	2.0711	2.0355	2.5401	2.9261	3.1437	2.6453	1.7218	2.9460	2.7994	3.9590	4.1016
N2	1.0048		3.0696	1.3291	2.2469	3.8325	3.8135	3.1073	0.9884	2.0315	3.7960	4.8930	4.7269
N3	2.0711	3.0696		3.8350	3.7964	1.2618	2.2973	2.5510	3.7226	4.8742	0.9974	2.0567	3.1579
C4	2.0355	1.3291	3.8350		1.1988	4.2423	3.7831	2.8590	2.0113	1.0902	4.7160	5.3188	4.5491
O5	2.5401	2.2469	3.7964	1.1988		3.8314	3.0419	2.0450	3.1122	1.9907	4.7710	4.8523	3.6470
C6	2.9261	3.8325	1.2618	4.2423	3.8314		1.3424	2.0325	4.6476	5.3314	1.8666	1.0825	2.0144
N7	3.1437	3.8135	2.2973	3.7831	3.0419	1.3424		0.9994	4.7607	4.8429	3.1271	2.0359	0.9882
H8	2.6453	3.1073	2.5510	2.8590	2.0450	2.0325	0.9994		4.0899	3.8919	3.5159	2.9337	1.6996
H9	1.7218	0.9884	3.7226	2.0113	3.1122	4.6476	4.7607	4.0899		2.2641	4.2847	5.6746	5.6911
H10	2.9460	2.0315	4.8742	1.0902	1.9907	5.3314	4.8429	3.8919	2.2641		5.7150	6.4086	5.5671
H11	2.7994	3.7960	0.9974	4.7160	4.7710	1.8666	3.1271	3.5159	4.2847	5.7150		2.1983	3.8777
H12	3.9590	4.8930	2.0567	5.3188	4.8523	1.0825	2.0359	2.9337	5.6746	6.4086	2.1983		2.2702
H13	4.1016	4.7269	3.1579	4.5491	3.6470	2.0144	0.9882	1.6996	5.6911	5.5671	3.8777	2.2702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.796	H1	N2	H9	119.494
H1	N3	C6	120.854	H1	N3	H11	128.157
N2	H1	N3	172.201	N2	C4	O5	125.378
N2	C4	H10	113.854	N3	C6	N7	123.771
N3	C6	H12	122.451	C4	N2	H9	119.709
C4	O5	H8	121.401	O5	C4	H10	120.768
O5	H8	N7	174.984	C6	N3	H11	110.880
C6	N7	H8	119.712	C6	N7	H13	118.822
N7	C6	H12	113.763	H8	N7	H13	117.548

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

using model chemistry: HF/Def2TZVPP

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	0.247
2	N	-0.406
3	N	-0.541
4	C	0.460
5	O	-0.540
6	C	0.338
7	N	-0.408
8	H	0.247
9	H	0.188
10	H	0.036
11	H	0.151
12	H	0.041
13	H	0.187

	x	y	z	Total
	-1.016	1.582	-0.129	1.885
CHELPG
AIM
ESP

	x	y	z
x	8.041	0.539	0.030
y	0.539	9.057	-0.001
z	0.030	-0.001	4.820

<r²>	229.241
(<r²>)^1/2	15.141

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

using model chemistry: HF/Def2TZVPP

States and conformations

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