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	hartrees
Energy at 0K	-318.002408
Energy at 298.15K	-318.012647
HF Energy	-318.002408
Nuclear repulsion energy	233.048086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3661	3468	78.18
2	A	3621	3430	46.24
3	A	3500	3315	5.92
4	A	3075	2913	59.43
5	A	3041	2880	980.61
6	A	2999	2840	624.08
7	A	2516	2384	1524.16
8	A	1825	1729	153.21
9	A	1785	1691	432.46
10	A	1729	1638	46.38
11	A	1656	1569	13.28
12	A	1453	1376	54.23
13	A	1447	1370	26.11
14	A	1406	1332	19.67
15	A	1389	1315	85.70
16	A	1221	1157	294.35
17	A	1189	1126	57.34
18	A	1165	1103	30.51
19	A	1153	1092	10.94
20	A	1132	1072	22.26
21	A	1094	1036	31.96
22	A	1055	999	125.76
23	A	762	722	121.21
24	A	707	670	8.51
25	A	621	588	4.55
26	A	616	584	96.97
27	A	493	467	57.41
28	A	330	312	132.19
29	A	275	260	0.81
30	A	237	224	0.31
31	A	183	174	89.00
32	A	182	172	1.66
33	A	73	69	14.40

Atom	x (Å)	y (Å)	z (Å)
H1	0.317	1.203	-0.000
N2	1.394	1.107	0.001
N3	-1.329	1.180	-0.001
C4	1.968	-0.098	0.000
O5	1.368	-1.201	-0.001
C6	-1.973	0.054	0.000
N7	-1.359	-1.143	0.000
H8	-0.312	-1.208	-0.001
H9	1.979	1.936	0.001
H10	3.067	-0.082	0.001
H11	-1.933	2.008	-0.001
H12	-3.064	0.003	0.002
H13	-1.907	-1.993	0.002

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0812	1.6460	2.1024	2.6236	2.5614	2.8827	2.4910	1.8171	3.0357	2.3898	3.5875	3.8936
N2	1.0812		2.7238	1.3349	2.3081	3.5272	3.5550	2.8752	1.0151	2.0527	3.4468	4.5926	4.5284
N3	1.6460	2.7238		3.5366	3.5976	1.2969	2.3231	2.5950	3.3937	4.5739	1.0250	2.0967	3.2254
C4	2.1024	1.3349	3.5366		1.2562	3.9441	3.4876	2.5365	2.0338	1.0989	4.4339	5.0338	4.3144
O5	2.6236	2.3081	3.5976	1.2562		3.5685	2.7272	1.6802	3.1960	2.0351	4.6039	4.5927	3.3695
C6	2.5614	3.5272	1.2969	3.9441	3.5685		1.3452	2.0852	4.3772	5.0418	1.9545	1.0928	2.0483
N7	2.8827	3.5550	2.3231	3.4876	2.7272	1.3452		1.0485	4.5412	4.5516	3.2029	2.0547	1.0118
H8	2.4910	2.8752	2.5950	2.5365	1.6802	2.0852	1.0485		3.8901	3.5623	3.6010	3.0064	1.7779
H9	1.8171	1.0151	3.3937	2.0338	3.1960	4.3772	4.5412	3.8901		2.2922	3.9133	5.4013	5.5267
H10	3.0357	2.0527	4.5739	1.0989	2.0351	5.0418	4.5516	3.5623	2.2922		5.4197	6.1322	5.3292
H11	2.3898	3.4468	1.0250	4.4339	4.6039	1.9545	3.2029	3.6010	3.9133	5.4197		2.3020	4.0014
H12	3.5875	4.5926	2.0967	5.0338	4.5927	1.0928	2.0547	3.0064	5.4013	6.1322	2.3020		2.3073
H13	3.8936	4.5284	3.2254	4.3144	3.3695	2.0483	1.0118	1.7779	5.5267	5.3292	4.0014	2.3073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.597	H1	N2	H9	120.152
H1	N3	C6	120.542	H1	N3	H11	125.321
N2	H1	N3	174.120	N2	C4	O5	125.920
N2	C4	H10	114.664	N3	C6	N7	123.099
N3	C6	H12	122.422	C4	N2	H9	119.251
C4	O5	H8	118.791	O5	C4	H10	119.416
O5	H8	N7	176.247	C6	N3	H11	114.137
C6	N7	H8	120.683	C6	N7	H13	120.026
N7	C6	H12	114.479	H8	N7	H13	119.290

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

using model chemistry: M06-2X/3-21G*

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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Number	Element	Mulliken
1	H	0.393
2	N	-0.812
3	N	-0.668
4	C	0.441
5	O	-0.536
6	C	0.341
7	N	-0.802
8	H	0.374
9	H	0.309
10	H	0.176
11	H	0.273
12	H	0.197
13	H	0.315

	x	y	z	Total
	-1.727	1.860	0.008	2.539
CHELPG
AIM
ESP

	x	y	z
x	7.659	0.589	-0.001
y	0.589	8.394	-0.001
z	-0.001	-0.001	1.844

<r²>	204.141
(<r²>)^1/2	14.288

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

using model chemistry: M06-2X/3-21G*

States and conformations

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