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	hartrees
Energy at 0K	-319.536716
Energy at 298.15K	-319.545950
Nuclear repulsion energy	71.508160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3560	60.36
2	A	3565	3514	34.96
3	A	3441	3392	0.66
4	A	3205	3159	917.96
5	A	2986	2943	19.02
6	A	2950	2908	931.39
7	A	2875	2834	334.61
8	A	1766	1741	447.08
9	A	1713	1688	89.71
10	A	1639	1616	6.73
11	A	1620	1597	3.81
12	A	1405	1385	31.63
13	A	1393	1373	12.18
14	A	1346	1327	25.06
15	A	1325	1307	67.81
16	A	1140	1124	61.91
17	A	1103	1087	1.83
18	A	1084	1068	6.46
19	A	1032	1017	27.00
20	A	1004	989	0.62
21	A	901	888	69.41
22	A	807	795	25.08
23	A	733	723	154.94
24	A	637	627	9.49
25	A	575	566	6.32
26	A	486	479	103.82
27	A	353	348	88.54
28	A	247	244	81.75
29	A	188	186	1.26
30	A	164	162	1.80
31	A	144	142	4.88
32	A	119	118	99.61
33	A	58	57	7.24

Atom	x (Å)	y (Å)	z (Å)
H1	0.420	1.215	0.016
N2	1.469	1.113	0.019
N3	-1.426	1.184	-0.007
C4	2.056	-0.103	-0.005
O5	1.466	-1.194	-0.041
C6	-2.061	0.049	-0.025
N7	-1.433	-1.149	0.081
H8	-0.396	-1.196	0.040
H9	2.052	1.945	0.058
H10	3.172	-0.052	0.009
H11	-2.094	1.961	-0.061
H12	-3.162	-0.037	-0.098
H13	-1.955	-1.998	-0.104

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0536	1.8469	2.1004	2.6271	2.7420	3.0041	2.5449	1.7889	3.0299	2.6235	3.7967	3.9979
N2	1.0536		2.8962	1.3502	2.3080	3.6871	3.6795	2.9676	1.0174	2.0639	3.6630	4.7733	4.6283
N3	1.8469	2.8962		3.7122	3.7449	1.3009	2.3345	2.5937	3.5619	4.7621	1.0257	2.1244	3.2276
C4	2.1004	1.3502	3.7122		1.2411	4.1197	3.6429	2.6844	2.0490	1.1181	4.6347	5.2193	4.4376
O5	2.6271	2.3080	3.7449	1.2411		3.7400	2.9019	1.8637	3.1954	2.0541	4.7571	4.7713	3.5154
C6	2.7420	3.6871	1.3009	4.1197	3.7400		1.3564	2.0799	4.5306	5.2348	1.9130	1.1070	2.0514
N7	3.0041	3.6795	2.3345	3.6429	2.9019	1.3564		1.0389	4.6606	4.7347	3.1825	2.0638	1.0144
H8	2.5449	2.9676	2.5937	2.6844	1.8637	2.0799	1.0389		3.9824	3.7473	3.5858	3.0025	1.7601
H9	1.7889	1.0174	3.5619	2.0490	3.1954	4.5306	4.6606	3.9824		2.2902	4.1481	5.5812	5.6252
H10	3.0299	2.0639	4.7621	1.1181	2.0541	5.2348	4.7347	3.7473	2.2902		5.6383	6.3358	5.4862
H11	2.6235	3.6630	1.0257	4.6347	4.7571	1.9130	3.1825	3.5858	4.1481	5.6383		2.2663	3.9621
H12	3.7967	4.7733	2.1244	5.2193	4.7713	1.1070	2.0638	3.0025	5.5812	6.3358	2.2663		2.3028
H13	3.9979	4.6283	3.2276	4.4376	3.5154	2.0514	1.0144	1.7601	5.6252	5.4862	3.9621	2.3028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.309	H1	N2	H9	119.480
H1	N3	C6	120.172	H1	N3	H11	129.685
N2	H1	N3	173.466	N2	C4	O5	125.871
N2	C4	H10	113.136	N3	C6	N7	122.918
N3	C6	H12	123.641	C4	N2	H9	119.199
C4	O5	H8	118.289	O5	C4	H10	120.992
O5	H8	N7	177.369	C6	N3	H11	110.058
C6	N7	H8	119.942	C6	N7	H13	119.119
N7	C6	H12	113.422	H8	N7	H13	118.001

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

using model chemistry: PBEPBEultrafine_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	-0.584
4	C	0.000
5	O	0.000
6	C	0.184
7	N	-0.675
8	H	0.339
9	H	0.000
10	H	0.000
11	H	0.281
12	H	0.122
13	H	0.333

	x	y	z	Total
	-1.397	1.489	-0.343	2.070
CHELPG
AIM
ESP

	x	y	z
x	3.764	-0.024	0.130
y	-0.024	5.702	-0.042
z	0.130	-0.042	1.621

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBEultrafine_cp_opt/6-31G*

States and conformations

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