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	hartrees
Energy at 0K	-319.918132
Energy at 298.15K	-319.927479
HF Energy	-319.918132
Nuclear repulsion energy	229.371849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3681	3531	67.60
2	A	3638	3490	44.89
3	A	3503	3361	0.90
4	A	3302	3168	842.90
5	A	3084	2959	156.25
6	A	3071	2947	723.68
7	A	2984	2863	282.48
8	A	1801	1728	518.28
9	A	1762	1690	110.12
10	A	1693	1624	3.11
11	A	1671	1603	3.52
12	A	1449	1390	31.85
13	A	1437	1379	14.56
14	A	1387	1330	28.07
15	A	1364	1309	85.38
16	A	1169	1121	70.52
17	A	1131	1085	1.79
18	A	1114	1069	4.27
19	A	1068	1025	20.00
20	A	1048	1006	0.59
21	A	916	879	89.84
22	A	826	792	23.10
23	A	755	725	160.47
24	A	647	621	11.12
25	A	585	561	6.34
26	A	500	480	109.36
27	A	356	342	87.07
28	A	253	243	81.49
29	A	197	189	2.11
30	A	168	161	0.93
31	A	151	145	8.80
32	A	112	107	116.68
33	A	62	59	2.78

Atom	x (Å)	y (Å)	z (Å)
H1	0.550	1.224	0.030
N2	1.572	1.102	0.036
N3	-1.479	1.189	-0.019
C4	2.119	-0.131	-0.009
O5	1.502	-1.193	-0.058
C6	-2.123	0.072	-0.030
N7	-1.527	-1.140	0.103
H8	-0.508	-1.209	0.063
H9	2.163	1.920	0.079
H10	3.227	-0.112	0.002
H11	-2.117	1.979	-0.089
H12	-3.216	0.004	-0.116
H13	-2.054	-1.973	-0.108

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0290	2.0298	2.0731	2.5984	2.9114	3.1470	2.6529	1.7576	2.9911	2.7752	3.9613	4.1256
N2	1.0290		3.0524	1.3497	2.2975	3.8364	3.8249	3.1090	1.0104	2.0521	3.7944	4.9144	4.7565
N3	2.0298	3.0524		3.8323	3.8155	1.2897	2.3327	2.5887	3.7158	4.8818	1.0182	2.1054	3.2154
C4	2.0731	1.3497	3.8323		1.2288	4.2470	3.7840	2.8401	2.0537	1.1079	4.7336	5.3374	4.5626
O5	2.5984	2.2975	3.8155	1.2288		3.8394	3.0330	2.0132	3.1852	2.0366	4.8125	4.8671	3.6409
C6	2.9114	3.8364	1.2897	4.2470	3.8394		1.3574	2.0640	4.6690	5.3530	1.9077	1.0981	2.0479
N7	3.1470	3.8249	2.3327	3.7840	3.0330	1.3574		1.0219	4.7934	4.8641	3.1801	2.0515	1.0086
H8	2.6529	3.1090	2.5887	2.8401	2.0132	2.0640	1.0219		4.1140	3.8927	3.5747	2.9726	1.7334
H9	1.7576	1.0104	3.7158	2.0537	3.1852	4.6690	4.7934	4.1140		2.2944	4.2845	5.7135	5.7426
H10	2.9911	2.0521	4.8818	1.1079	2.0366	5.3530	4.8641	3.8927	2.2944		5.7392	6.4444	5.6004
H11	2.7752	3.7944	1.0182	4.7336	4.8125	1.9077	3.1801	3.5747	4.2845	5.7392		2.2604	3.9526
H12	3.9613	4.9144	2.1054	5.3374	4.8671	1.0981	2.0515	2.9726	5.7135	6.4444	2.2604		2.2926
H13	4.1256	4.7565	3.2154	4.5626	3.6409	2.0479	1.0086	1.7334	5.7426	5.6004	3.9526	2.2926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.685	H1	N2	H9	119.044
H1	N3	C6	120.957	H1	N3	H11	128.001
N2	H1	N3	172.167	N2	C4	O5	125.940
N2	C4	H10	112.867	N3	C6	N7	123.560
N3	C6	H12	123.508	C4	N2	H9	120.271
C4	O5	H8	120.392	O5	C4	H10	121.193
O5	H8	N7	175.474	C6	N3	H11	110.957
C6	N7	H8	119.666	C6	N7	H13	119.149
N7	C6	H12	112.906	H8	N7	H13	117.228

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

using model chemistry: TPSSh/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	0.429
2	N	-0.756
3	N	-0.675
4	C	0.355
5	O	-0.500
6	C	0.256
7	N	-0.761
8	H	0.411
9	H	0.335
10	H	0.124
11	H	0.299
12	H	0.143
13	H	0.340

	x	y	z	Total
	-1.322	1.539	-0.339	2.057
CHELPG
AIM
ESP

	x	y	z
x	8.652	0.502	0.140
y	0.502	9.127	0.002
z	0.140	0.002	2.948

<r²>	216.810
(<r²>)^1/2	14.724

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

using model chemistry: TPSSh/6-31G*

States and conformations

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