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	hartrees
Energy at 0K	-318.991766
Energy at 298.15K	-319.001120
HF Energy	-318.023802
Nuclear repulsion energy	227.837514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3515	88.94
2	A	3743	3512	93.33
3	A	3568	3348	2.39
4	A	3524	3306	531.70
5	A	3395	3186	507.16
6	A	3138	2945	66.46
7	A	3066	2876	137.21
8	A	1873	1758	593.37
9	A	1812	1701	107.62
10	A	1733	1626	7.42
11	A	1718	1612	25.41
12	A	1499	1406	29.31
13	A	1481	1390	13.17
14	A	1415	1327	23.48
15	A	1393	1307	118.73
16	A	1199	1125	76.10
17	A	1159	1087	14.02
18	A	1145	1074	0.59
19	A	1097	1029	6.30
20	A	1084	1017	0.89
21	A	896	841	153.72
22	A	825	774	10.69
23	A	779	731	197.09
24	A	650	610	13.48
25	A	596	559	6.86
26	A	471	442	120.22
27	A	404	379	164.43
28	A	224	210	61.30
29	A	176	165	2.41
30	A	170	160	8.56
31	A	148	139	5.00
32	A	125	117	96.27
33	A	57	54	10.24

Atom	x (Å)	y (Å)	z (Å)
H1	0.562	1.217	0.031
N2	1.578	1.098	0.038
N3	-1.486	1.183	-0.020
C4	2.124	-0.131	-0.009
O5	1.506	-1.185	-0.061
C6	-2.129	0.072	-0.031
N7	-1.530	-1.137	0.106
H8	-0.515	-1.199	0.063
H9	2.169	1.913	0.082
H10	3.230	-0.120	0.002
H11	-2.126	1.971	-0.094
H12	-3.221	0.010	-0.118
H13	-2.053	-1.969	-0.110

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0236	2.0492	2.0641	2.5827	2.9252	3.1499	2.6458	1.7521	2.9846	2.7939	3.9736	4.1242
N2	1.0236		3.0666	1.3452	2.2859	3.8475	3.8288	3.1082	1.0076	2.0523	3.8078	4.9237	4.7554
N3	2.0492	3.0666		3.8428	3.8169	1.2839	2.3241	2.5744	3.7289	4.8932	1.0168	2.0965	3.2046
C4	2.0641	1.3452	3.8428		1.2231	4.2587	3.7922	2.8489	2.0462	1.1054	4.7421	5.3486	4.5651
O5	2.5827	2.2859	3.8169	1.2231		3.8470	3.0413	2.0256	3.1712	2.0268	4.8116	4.8766	3.6448
C6	2.9252	3.8475	1.2839	4.2587	3.8470		1.3562	2.0567	4.6772	5.3626	1.8997	1.0971	2.0445
N7	3.1499	3.8288	2.3241	3.7922	3.0413	1.3562		1.0174	4.7941	4.8682	3.1705	2.0557	1.0066
H8	2.6458	3.1082	2.5744	2.8489	2.0256	2.0567	1.0174		4.1100	3.8980	3.5590	2.9693	1.7281
H9	1.7521	1.0076	3.7289	2.0462	3.1712	4.6772	4.7941	4.1100		2.2947	4.2986	5.7196	5.7386
H10	2.9846	2.0523	4.8932	1.1054	2.0268	5.3626	4.8682	3.8980	2.2947		5.7500	6.4534	5.5979
H11	2.7939	3.8078	1.0168	4.7421	4.8116	1.8997	3.1705	3.5590	4.2986	5.7500		2.2461	3.9409
H12	3.9736	4.9237	2.0965	5.3486	4.8766	1.0971	2.0557	2.9693	5.7196	6.4534	2.2461		2.2987
H13	4.1242	4.7554	3.2046	4.5651	3.6448	2.0445	1.0066	1.7281	5.7386	5.5979	3.9409	2.2987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.630	H1	N2	H9	119.211
H1	N3	C6	120.988	H1	N3	H11	128.127
N2	H1	N3	172.294	N2	C4	O5	125.687
N2	C4	H10	113.385	N3	C6	N7	123.334
N3	C6	H12	123.220	C4	N2	H9	120.160
C4	O5	H8	120.528	O5	C4	H10	120.928
O5	H8	N7	175.937	C6	N3	H11	110.788
C6	N7	H8	119.412	C6	N7	H13	119.093
N7	C6	H12	113.417	H8	N7	H13	117.254

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

using model chemistry: MP3=FULL/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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All results from a given calculation for HCONH2CN2H4 (formamide aminomethanimine dimer)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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