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	hartrees
Energy at 0K	-319.909779
Energy at 298.15K	-319.919038
Nuclear repulsion energy	71.928546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3544	69.87
2	A	3659	3514	50.50
3	A	3514	3375	0.59
4	A	3375	3241	707.39
5	A	3179	3053	708.85
6	A	3066	2945	115.12
7	A	2970	2852	209.55
8	A	1814	1742	503.65
9	A	1758	1688	110.62
10	A	1690	1623	11.11
11	A	1671	1605	5.58
12	A	1453	1395	45.92
13	A	1442	1385	12.78
14	A	1382	1327	29.07
15	A	1354	1301	88.65
16	A	1169	1122	76.78
17	A	1129	1084	1.81
18	A	1114	1069	2.62
19	A	1068	1025	8.01
20	A	1053	1012	0.43
21	A	901	865	110.16
22	A	806	774	5.79
23	A	754	724	172.55
24	A	645	619	11.68
25	A	588	564	6.91
26	A	477	458	110.47
27	A	356	342	108.24
28	A	231	222	71.46
29	A	179	171	1.68
30	A	161	155	3.00
31	A	148	142	4.80
32	A	123	118	108.17
33	A	58	56	6.97

Atom	x (Å)	y (Å)	z (Å)
H1	0.476	1.213	0.018
N2	1.507	1.104	0.023
N3	-1.441	1.182	-0.012
C4	2.074	-0.116	-0.005
O5	1.472	-1.187	-0.045
C6	-2.078	0.061	-0.023
N7	-1.465	-1.142	0.083
H8	-0.442	-1.199	0.041
H9	2.092	1.925	0.064
H10	3.181	-0.083	0.010
H11	-2.095	1.961	-0.067
H12	-3.171	-0.013	-0.094
H13	-1.992	-1.980	-0.101

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0368	1.9168	2.0789	2.5997	2.8020	3.0523	2.5813	1.7669	3.0000	2.6782	3.8491	4.0376
N2	1.0368		2.9485	1.3455	2.2924	3.7337	3.7253	3.0170	1.0095	2.0525	3.7029	4.8107	4.6657
N3	1.9168	2.9485		3.7468	3.7546	1.2899	2.3257	2.5829	3.6108	4.7919	1.0183	2.1048	3.2113
C4	2.0789	1.3455	3.7468		1.2298	4.1560	3.6862	2.7399	2.0423	1.1077	4.6577	5.2471	4.4743
O5	2.5997	2.2924	3.7546	1.2298		3.7630	2.9404	1.9158	3.1755	2.0359	4.7571	4.7894	3.5540
C6	2.8020	3.7337	1.2899	4.1560	3.7630		1.3536	2.0661	4.5688	5.2615	1.9004	1.0978	2.0444
N7	3.0523	3.7253	2.3257	3.6862	2.9404	1.3536		1.0259	4.6968	4.7663	3.1689	2.0529	1.0074
H8	2.5813	3.0170	2.5829	2.7399	1.9158	2.0661	1.0259		4.0231	3.7916	3.5677	2.9789	1.7414
H9	1.7669	1.0095	3.6108	2.0423	3.1755	4.5688	4.6968	4.0231		2.2851	4.1889	5.6110	5.6533
H10	3.0000	2.0525	4.7919	1.1077	2.0359	5.2615	4.7663	3.7916	2.2851		5.6584	6.3537	5.5115
H11	2.6782	3.7029	1.0183	4.6577	4.7571	1.9004	3.1689	3.5677	4.1889	5.6584		2.2484	3.9424
H12	3.8491	4.8107	2.1048	5.2471	4.7894	1.0978	2.0529	2.9789	5.6110	6.3537	2.2484		2.2935
H13	4.0376	4.6657	3.2113	4.4743	3.5540	2.0444	1.0074	1.7414	5.6533	5.5115	3.9424	2.2935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.990	H1	N2	H9	119.409
H1	N3	C6	120.552	H1	N3	H11	129.094
N2	H1	N3	172.990	N2	C4	O5	125.723
N2	C4	H10	113.220	N3	C6	N7	123.210
N3	C6	H12	123.446	C4	N2	H9	119.593
C4	O5	H8	119.560	O5	C4	H10	121.058
O5	H8	N7	176.398	C6	N3	H11	110.286
C6	N7	H8	119.895	C6	N7	H13	119.248
N7	C6	H12	113.326	H8	N7	H13	117.844

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

using model chemistry: B3LYP_cp_opt/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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Number	Element	Mulliken
1	H	0.000
2	N	0.000
3	N	-0.600
4	C	0.000
5	O	0.000
6	C	0.227
7	N	-0.698
8	H	0.341
9	H	0.000
10	H	0.000
11	H	0.281
12	H	0.116
13	H	0.333

	x	y	z	Total
	-1.283	1.561	-0.345	2.050
CHELPG
AIM
ESP

	x	y	z
x	3.591	0.034	0.116
y	0.034	5.515	-0.048
z	0.116	-0.048	1.588

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP_cp_opt/6-31G*

States and conformations

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