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	hartrees
Energy at 0K	-318.947534
Energy at 298.15K	-318.956859
HF Energy	-318.021453
Counterpoise corrected energy	-318.940245
CP Energy at 298.15K	-318.949574
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	227.656021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3519	99.13
2	A	3714	3502	90.92
3	A	3551	3348	4.62
4	A	3459	3262	627.05
5	A	3301	3113	599.59
6	A	3134	2956	78.91
7	A	3055	2881	164.99
8	A	1827	1723	490.53
9	A	1786	1684	94.14
10	A	1705	1608	6.54
11	A	1694	1597	10.66
12	A	1465	1381	30.57
13	A	1459	1376	9.91
14	A	1408	1328	25.00
15	A	1381	1302	91.54
16	A	1182	1115	74.56
17	A	1146	1081	5.08
18	A	1125	1061	1.46
19	A	1079	1018	14.13
20	A	1062	1001	0.57
21	A	892	841	124.73
22	A	819	772	6.77
23	A	773	729	199.32
24	A	643	606	11.23
25	A	590	557	6.94
26	A	477	450	123.87
27	A	395	372	145.18
28	A	229	216	65.17
29	A	179	168	2.39
30	A	165	156	5.40
31	A	149	141	4.17
32	A	123	116	95.23
33	A	57	53	9.86

Atom	x (Å)	y (Å)	z (Å)
H1	0.561	1.218	0.033
N2	1.581	1.101	0.038
N3	-1.484	1.189	-0.020
C4	2.128	-0.131	-0.010
O5	1.505	-1.194	-0.061
C6	-2.133	0.073	-0.031
N7	-1.534	-1.137	0.106
H8	-0.516	-1.201	0.065
H9	2.172	1.918	0.083
H10	3.235	-0.115	0.000
H11	-2.122	1.979	-0.094
H12	-3.225	0.007	-0.119
H13	-2.058	-1.971	-0.108

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0265	2.0456	2.0682	2.5914	2.9280	3.1526	2.6478	1.7573	2.9875	2.7915	3.9783	4.1291
N2	1.0265		3.0663	1.3494	2.2981	3.8542	3.8360	3.1140	1.0096	2.0530	3.8074	4.9317	4.7648
N3	2.0456	3.0663		3.8454	3.8225	1.2914	2.3301	2.5793	3.7290	4.8951	1.0182	2.1074	3.2130
C4	2.0682	1.3494	3.8454		1.2323	4.2658	3.7990	2.8533	2.0524	1.1069	4.7455	5.3561	4.5737
O5	2.5914	2.2981	3.8225	1.2323		3.8524	3.0440	2.0255	3.1859	2.0392	4.8188	4.8808	3.6477
C6	2.9280	3.8542	1.2914	4.2658	3.8524		1.3572	2.0601	4.6852	5.3710	1.9072	1.0979	2.0465
N7	3.1526	3.8360	2.3301	3.7990	3.0440	1.3572		1.0201	4.8029	4.8778	3.1774	2.0545	1.0081
H8	2.6478	3.1140	2.5793	2.8533	2.0255	2.0601	1.0201		4.1177	3.9056	3.5654	2.9715	1.7323
H9	1.7573	1.0096	3.7290	2.0524	3.1859	4.6852	4.8029	4.1177		2.2957	4.2976	5.7293	5.7496
H10	2.9875	2.0530	4.8951	1.1069	2.0392	5.3710	4.8778	3.9056	2.2957		5.7518	6.4622	5.6101
H11	2.7915	3.8074	1.0182	4.7455	4.8188	1.9072	3.1774	3.5654	4.2976	5.7518		2.2602	3.9504
H12	3.9783	4.9317	2.1074	5.3561	4.8808	1.0979	2.0545	2.9715	5.7293	6.4622	2.2602		2.2963
H13	4.1291	4.7648	3.2130	4.5737	3.6477	2.0465	1.0081	1.7323	5.7496	5.6101	3.9504	2.2963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.428	H1	N2	H9	119.328
H1	N3	C6	120.998	H1	N3	H11	128.121
N2	H1	N3	172.571	N2	C4	O5	125.730
N2	C4	H10	113.036	N3	C6	N7	123.206
N3	C6	H12	123.572	C4	N2	H9	120.244
C4	O5	H8	120.313	O5	C4	H10	121.235
O5	H8	N7	176.046	C6	N3	H11	110.787
C6	N7	H8	119.451	C6	N7	H13	119.074
N7	C6	H12	113.192	H8	N7	H13	117.322

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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