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	hartrees
Energy at 0K	-318.940245
Energy at 298.15K	-318.949574
Nuclear repulsion energy	71.850001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3518	98.99
2	A	3714	3502	91.09
3	A	3551	3348	4.62
4	A	3458	3261	631.21
5	A	3301	3113	594.75
6	A	3133	2955	78.93
7	A	3055	2880	164.84
8	A	1827	1723	490.76
9	A	1786	1684	94.22
10	A	1705	1608	6.59
11	A	1694	1597	10.53
12	A	1465	1381	30.68
13	A	1459	1376	9.89
14	A	1408	1328	25.02
15	A	1381	1302	91.60
16	A	1182	1115	74.62
17	A	1146	1081	5.11
18	A	1125	1061	1.48
19	A	1079	1018	14.08
20	A	1062	1001	0.59
21	A	891	841	124.90
22	A	819	772	6.82
23	A	774	730	198.79
24	A	643	606	11.22
25	A	590	557	6.95
26	A	477	450	123.90
27	A	395	373	145.47
28	A	229	216	65.36
29	A	179	169	2.21
30	A	166	157	5.21
31	A	150	141	4.08
32	A	124	117	95.30
33	A	57	54	9.73

Atom	x (Å)	y (Å)	z (Å)
H1	0.489	1.210	0.029
N2	1.517	1.105	0.032
N3	-1.453	1.182	-0.011
C4	2.086	-0.112	-0.010
O5	1.481	-1.191	-0.058
C6	-2.092	0.056	-0.036
N7	-1.474	-1.140	0.113
H8	-0.451	-1.180	0.064
H9	2.101	1.928	0.078
H10	3.190	-0.085	0.000
H11	-2.111	1.957	-0.093
H12	-3.181	-0.018	-0.139
H13	-1.978	-1.978	-0.135

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0328	1.9433	2.0734	2.5986	2.8279	3.0630	2.5686	1.7648	2.9954	2.7085	3.8732	4.0341
N2	1.0328		2.9714	1.3447	2.2982	3.7586	3.7405	3.0163	1.0096	2.0540	3.7287	4.8327	4.6635
N3	1.9433	2.9714		3.7689	3.7739	1.2944	2.3256	2.5672	3.6325	4.8134	1.0197	2.1068	3.2051
C4	2.0734	1.3447	3.7689		1.2380	4.1818	3.7076	2.7544	2.0415	1.1041	4.6805	5.2694	4.4743
O5	2.5986	2.2982	3.7739	1.2380		3.7843	2.9600	1.9361	3.1823	2.0363	4.7763	4.8076	3.5487
C6	2.8279	3.7586	1.2944	4.1818	3.7843		1.3550	2.0570	4.5927	5.2840	1.9014	1.0960	2.0392
N7	3.0630	3.7405	2.3256	3.7076	2.9600	1.3550		1.0244	4.7105	4.7829	3.1686	2.0583	1.0085
H8	2.5686	3.0163	2.5672	2.7544	1.9361	2.0570	1.0244		4.0214	3.8030	3.5527	2.9736	1.7343
H9	1.7648	1.0096	3.6325	2.0415	3.1823	4.5927	4.7105	4.0214		2.2902	4.2156	5.6323	5.6511
H10	2.9954	2.0540	4.8134	1.1041	2.0363	5.2840	4.7829	3.8030	2.2902		5.6819	6.3726	5.5058
H11	2.7085	3.7287	1.0197	4.6805	4.7763	1.9014	3.1686	3.5527	4.2156	5.6819		2.2458	3.9366
H12	3.8732	4.8327	2.1068	5.2694	4.8076	1.0960	2.0583	2.9736	5.6323	6.3726	2.2458		2.2990
H13	4.0341	4.6635	3.2051	4.4743	3.5487	2.0392	1.0085	1.7343	5.6511	5.5058	3.9366	2.2990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.850	H1	N2	H9	119.563
H1	N3	C6	120.390	H1	N3	H11	129.486
N2	H1	N3	173.317	N2	C4	O5	125.654
N2	C4	H10	113.665	N3	C6	N7	122.739
N3	C6	H12	123.397	C4	N2	H9	119.584
C4	O5	H8	118.746	O5	C4	H10	120.682
O5	H8	N7	177.859	C6	N3	H11	109.935
C6	N7	H8	119.000	C6	N7	H13	118.534
N7	C6	H12	113.822	H8	N7	H13	117.105

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

using model chemistry: MP2_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	-0.707
4	C	0.000
5	O	0.000
6	C	0.316
7	N	-0.867
8	H	0.396
9	H	0.000
10	H	0.000
11	H	0.318
12	H	0.168
13	H	0.377

	x	y	z	Total
	-1.123	1.884	-0.580	2.269
CHELPG
AIM
ESP

	x	y	z
x	3.479	0.098	0.184
y	0.098	5.403	-0.140
z	0.184	-0.140	1.612

<r²>	222.504
(<r²>)^1/2	14.917

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

using model chemistry: MP2_cp_opt/6-31G*

States and conformations

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