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	hartrees
Energy at 0K	-319.952386
Energy at 298.15K	-319.961577
HF Energy	-319.952386
Nuclear repulsion energy	230.267656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3705	3575	78.11
2	A	3654	3526	48.76
3	A	3526	3403	2.03
4	A	3278	3163	911.33
5	A	3057	2950	20.35
6	A	3022	2916	875.19
7	A	2949	2846	302.32
8	A	1785	1723	501.32
9	A	1738	1678	107.21
10	A	1671	1613	1.93
11	A	1648	1590	0.46
12	A	1429	1379	40.80
13	A	1428	1378	0.83
14	A	1371	1323	30.63
15	A	1352	1304	84.88
16	A	1157	1117	67.54
17	A	1116	1077	0.96
18	A	1101	1062	8.34
19	A	1072	1035	10.79
20	A	1053	1016	0.19
21	A	907	876	42.64
22	A	812	784	2.61
23	A	751	725	125.26
24	A	649	626	9.92
25	A	584	563	6.02
26	A	503	485	84.97
27	A	328	316	46.26
28	A	240	231	91.78
29	A	183	176	0.54
30	A	166	160	0.36
31	A	158	153	13.65
32	A	78	75	72.38
33	A	32	31	31.41

Atom	x (Å)	y (Å)	z (Å)
H1	0.550	1.219	0.029
N2	1.569	1.098	0.036
N3	-1.479	1.185	-0.019
C4	2.117	-0.131	-0.009
O5	1.502	-1.187	-0.058
C6	-2.121	0.071	-0.029
N7	-1.523	-1.137	0.101
H8	-0.507	-1.206	0.061
H9	2.158	1.913	0.079
H10	3.224	-0.107	0.003
H11	-2.115	1.974	-0.089
H12	-3.213	0.002	-0.114
H13	-2.051	-1.967	-0.105

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0255	2.0300	2.0678	2.5886	2.9078	3.1390	2.6452	1.7525	2.9850	2.7730	3.9576	4.1150
N2	1.0255		3.0494	1.3465	2.2885	3.8306	3.8159	3.1016	1.0066	2.0486	3.7886	4.9081	4.7456
N3	2.0300	3.0494		3.8290	3.8102	1.2859	2.3260	2.5824	3.7108	4.8778	1.0156	2.1015	3.2052
C4	2.0678	1.3465	3.8290		1.2233	4.2427	3.7780	2.8366	2.0459	1.1079	4.7271	5.3325	4.5556
O5	2.5886	2.2885	3.8102	1.2233		3.8356	3.0298	2.0130	3.1717	2.0336	4.8040	4.8632	3.6382
C6	2.9078	3.8306	1.2859	4.2427	3.8356		1.3546	2.0601	4.6603	5.3485	1.9034	1.0975	2.0410
N7	3.1390	3.8159	2.3260	3.7780	3.0298	1.3546		1.0190	4.7810	4.8588	3.1725	2.0494	1.0051
H8	2.6452	3.1016	2.5824	2.8366	2.0130	2.0601	1.0190		4.1029	3.8903	3.5664	2.9684	1.7293
H9	1.7525	1.0066	3.7108	2.0459	3.1717	4.6603	4.7810	4.1029		2.2856	4.2776	5.7046	5.7280
H10	2.9850	2.0486	4.8778	1.1079	2.0336	5.3485	4.8588	3.8903	2.2856		5.7317	6.4394	5.5947
H11	2.7730	3.7886	1.0156	4.7271	4.8040	1.9034	3.1725	3.5664	4.2776	5.7317		2.2568	3.9414
H12	3.9576	4.9081	2.1015	5.3325	4.8632	1.0975	2.0494	2.9684	5.7046	6.4394	2.2568		2.2864
H13	4.1150	4.7456	3.2052	4.5556	3.6382	2.0410	1.0051	1.7293	5.7280	5.5947	3.9414	2.2864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.724	H1	N2	H9	119.176
H1	N3	C6	120.894	H1	N3	H11	127.973
N2	H1	N3	172.283	N2	C4	O5	125.817
N2	C4	H10	112.800	N3	C6	N7	123.481
N3	C6	H12	123.512	C4	N2	H9	120.099
C4	O5	H8	120.479	O5	C4	H10	121.383
O5	H8	N7	175.457	C6	N3	H11	111.044
C6	N7	H8	119.767	C6	N7	H13	119.010
N7	C6	H12	112.981	H8	N7	H13	117.384

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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