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	hartrees
Energy at 0K	-319.726161
Energy at 298.15K	-319.735443
HF Energy	-319.726161
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3625	3554	59.98
2	A	3584	3514	37.11
3	A	3448	3381	1.19
4	A	3238	3175	894.00
5	A	3004	2946	79.73
6	A	2989	2930	886.82
7	A	2895	2838	334.03
8	A	1767	1732	489.34
9	A	1727	1694	88.77
10	A	1659	1627	2.73
11	A	1640	1608	4.10
12	A	1418	1391	28.81
13	A	1408	1381	12.18
14	A	1362	1335	25.02
15	A	1335	1309	71.03
16	A	1150	1128	65.90
17	A	1115	1093	2.64
18	A	1095	1073	4.45
19	A	1038	1017	21.37
20	A	1014	994	0.44
21	A	898	880	75.43
22	A	810	794	27.83
23	A	734	719	156.18
24	A	644	631	10.15
25	A	584	572	5.81
26	A	490	481	104.10
27	A	371	364	95.10
28	A	250	245	82.97
29	A	192	188	2.78
30	A	169	165	1.05
31	A	145	143	3.16
32	A	114	112	96.32
33	A	54	53	7.04

Atom	x (Å)	y (Å)	z (Å)
H1	0.413	1.212	0.025
N2	1.456	1.115	0.023
N3	-1.432	1.180	-0.004
C4	2.048	-0.094	-0.009
O5	1.471	-1.190	-0.044
C6	-2.054	0.041	-0.031
N7	-1.420	-1.150	0.092
H8	-0.388	-1.189	0.055
H9	2.032	1.947	0.058
H10	3.160	-0.041	-0.004
H11	-2.100	1.950	-0.072
H12	-3.149	-0.050	-0.125
H13	-1.929	-1.997	-0.118

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0473	1.8455	2.0939	2.6259	2.7310	2.9906	2.5316	1.7788	3.0203	2.6204	3.7813	3.9756
N2	1.0473		2.8886	1.3472	2.3059	3.6702	3.6608	2.9508	1.0130	2.0601	3.6534	4.7514	4.5999
N3	1.8455	2.8886		3.7065	3.7476	1.2978	2.3320	2.5896	3.5491	4.7522	1.0213	2.1148	3.2177
C4	2.0939	1.3472	3.7065		1.2392	4.1042	3.6266	2.6716	2.0424	1.1133	4.6250	5.1984	4.4104
O5	2.6259	2.3059	3.7476	1.2392		3.7329	2.8937	1.8610	3.1884	2.0438	4.7547	4.7585	3.4948
C6	2.7310	3.6702	1.2978	4.1042	3.7329		1.3547	2.0723	4.5096	5.2147	1.9100	1.1028	2.0437
N7	2.9906	3.6608	2.3320	3.6266	2.8937	1.3547		1.0332	4.6378	4.7134	3.1779	2.0609	1.0104
H8	2.5316	2.9508	2.5896	2.6716	1.8610	2.0723	1.0332		3.9613	3.7298	3.5776	2.9920	1.7487
H9	1.7788	1.0130	3.5491	2.0424	3.1884	4.5096	4.6378	3.9613		2.2865	4.1345	5.5554	5.5928
H10	3.0203	2.0601	4.7522	1.1133	2.0438	5.2147	4.7134	3.7298	2.2865		5.6249	6.3102	5.4535
H11	2.6204	3.6534	1.0213	4.6250	4.7547	1.9100	3.1779	3.5776	4.1345	5.6249		2.2583	3.9509
H12	3.7813	4.7514	2.1148	5.1984	4.7585	1.1028	2.0609	2.9920	5.5554	6.3102	2.2583		2.2979
H13	3.9756	4.5999	3.2177	4.4104	3.4948	2.0437	1.0104	1.7487	5.5928	5.4535	3.9509	2.2979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.638	H1	N2	H9	119.087
H1	N3	C6	120.816	H1	N3	H11	128.063
N2	H1	N3	172.250	N2	C4	O5	126.098
N2	C4	H10	112.671	N3	C6	N7	123.645
N3	C6	H12	123.557	C4	N2	H9	120.275
C4	O5	H8	120.128	O5	C4	H10	121.230
O5	H8	N7	175.552	C6	N3	H11	111.031
C6	N7	H8	119.600	C6	N7	H13	119.134
N7	C6	H12	112.774	H8	N7	H13	117.248

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

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	H	0.411
2	N	-0.715
3	N	-0.635
4	C	0.334
5	O	-0.472
6	C	0.238
7	N	-0.720
8	H	0.395
9	H	0.321
10	H	0.104
11	H	0.289
12	H	0.124
13	H	0.327

	x	y	z	Total
	-1.367	1.532	-0.424	2.096
CHELPG
AIM
ESP

	x	y	z
x	8.972	0.505	0.194
y	0.505	9.225	0.006
z	0.194	0.006	2.989

<r²>	217.096
(<r²>)^1/2	14.734

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

using model chemistry: B97D3/6-31G*

States and conformations

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