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	hartrees
Energy at 0K	-319.814631
Energy at 298.15K	-319.823874
HF Energy	-319.814631
Nuclear repulsion energy	227.251569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3570	3541	52.12
2	A	3530	3502	32.72
3	A	3388	3360	1.56
4	A	3218	3192	815.92
5	A	3003	2979	630.53
6	A	2974	2950	261.47
7	A	2871	2848	270.70
8	A	1737	1723	444.68
9	A	1703	1689	102.52
10	A	1639	1625	2.49
11	A	1618	1605	3.69
12	A	1403	1392	32.86
13	A	1396	1385	9.58
14	A	1348	1337	26.25
15	A	1316	1306	70.15
16	A	1139	1130	66.78
17	A	1101	1092	3.05
18	A	1080	1072	3.75
19	A	1025	1017	17.53
20	A	1004	996	0.48
21	A	879	872	67.27
22	A	800	793	24.74
23	A	729	723	148.38
24	A	635	630	9.45
25	A	578	574	5.39
26	A	476	472	98.30
27	A	366	363	96.88
28	A	239	237	77.92
29	A	184	183	1.78
30	A	169	167	1.87
31	A	148	147	3.92
32	A	121	120	92.70
33	A	66	65	5.06

Atom	x (Å)	y (Å)	z (Å)
H1	0.556	1.237	0.032
N2	1.584	1.110	0.038
N3	-1.488	1.199	-0.020
C4	2.130	-0.134	-0.010
O5	1.509	-1.202	-0.060
C6	-2.134	0.074	-0.030
N7	-1.537	-1.148	0.104
H8	-0.512	-1.221	0.065
H9	2.183	1.931	0.082
H10	3.247	-0.116	0.001
H11	-2.129	1.995	-0.094
H12	-3.235	0.005	-0.119
H13	-2.070	-1.985	-0.107

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0356	2.0450	2.0871	2.6197	2.9315	3.1738	2.6800	1.7695	3.0117	2.7931	3.9890	4.1588
N2	1.0356		3.0737	1.3594	2.3155	3.8605	3.8528	3.1350	1.0169	2.0663	3.8193	4.9465	4.7910
N3	2.0450	3.0737		3.8555	3.8404	1.2980	2.3514	2.6113	3.7444	4.9142	1.0245	2.1187	3.2385
C4	2.0871	1.3594	3.8555		1.2365	4.2690	3.8059	2.8575	2.0675	1.1176	4.7620	5.3675	4.5907
O5	2.6197	2.3155	3.8404	1.2365		3.8601	3.0504	2.0246	3.2077	2.0508	4.8431	4.8951	3.6638
C6	2.9315	3.8605	1.2980	4.2690	3.8601		1.3669	2.0780	4.7010	5.3847	1.9222	1.1064	2.0615
N7	3.1738	3.8528	2.3514	3.8059	3.0504	1.3669		1.0282	4.8288	4.8951	3.2047	2.0646	1.0148
H8	2.6800	3.1350	2.6113	2.8575	2.0246	2.0780	1.0282		4.1469	3.9187	3.6034	2.9919	1.7440
H9	1.7695	1.0169	3.7444	2.0675	3.2077	4.7010	4.8288	4.1469		2.3079	4.3161	5.7536	5.7843
H10	3.0117	2.0663	4.9142	1.1176	2.0508	5.3847	4.8951	3.9187	2.3079		5.7763	6.4842	5.6373
H11	2.7931	3.8193	1.0245	4.7620	4.8431	1.9222	3.2047	3.6034	4.3161	5.7763		2.2770	3.9806
H12	3.9890	4.9465	2.1187	5.3675	4.8951	1.1064	2.0646	2.9919	5.7536	6.4842	2.2770		2.3057
H13	4.1588	4.7910	3.2385	4.5907	3.6638	2.0615	1.0148	1.7440	5.7843	5.6373	3.9806	2.3057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.661	H1	N2	H9	119.100
H1	N3	C6	120.910	H1	N3	H11	127.824
N2	H1	N3	171.869	N2	C4	O5	126.185
N2	C4	H10	112.703	N3	C6	N7	123.840
N3	C6	H12	123.383	C4	N2	H9	120.239
C4	O5	H8	120.457	O5	C4	H10	121.112
O5	H8	N7	175.197	C6	N3	H11	111.177
C6	N7	H8	119.694	C6	N7	H13	119.153
N7	C6	H12	112.755	H8	N7	H13	117.215

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

using model chemistry: BLYP/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	0.378
2	N	-0.663
3	N	-0.588
4	C	0.326
5	O	-0.447
6	C	0.236
7	N	-0.670
8	H	0.365
9	H	0.300
10	H	0.086
11	H	0.268
12	H	0.102
13	H	0.307

	x	y	z	Total
	-1.284	1.521	-0.443	2.039
CHELPG
AIM
ESP

	x	y	z
x	9.178	0.563	0.199
y	0.563	9.416	0.012
z	0.199	0.012	2.972

<r²>	221.307
(<r²>)^1/2	14.876

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

using model chemistry: BLYP/6-31G*

States and conformations

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