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	hartrees
Energy at 0K	-318.287492
Energy at 298.15K	-318.297329
Nuclear repulsion energy	235.524621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3633	3579	75.50
2	A	3577	3524	39.27
3	A	3514	3462	13.77
4	A	2986	2942	17.31
5	A	2879	2836	11.79
6	A	2797	2756	2288.44
7	A	2342	2308	1532.29
8	A	1786	1760	550.11
9	A	1718	1693	44.97
10	A	1619	1595	24.02
11	A	1589	1565	10.55
12	A	1409	1388	5.48
13	A	1391	1370	11.88
14	A	1341	1321	80.82
15	A	1326	1307	10.05
16	A	1129	1112	24.44
17	A	1107	1090	2.30
18	A	1096	1080	46.88
19	A	1082	1066	38.05
20	A	1024	1009	1.54
21	A	980	965	5.36
22	A	913	900	30.63
23	A	719	709	109.00
24	A	679	669	5.66
25	A	594	586	4.40
26	A	574	565	73.36
27	A	426	419	37.96
28	A	340	335	148.59
29	A	244	240	0.25
30	A	192	189	0.24
31	A	175	172	0.41
32	A	144	142	72.11
33	A	68	67	9.72

Atom	x (Å)	y (Å)	z (Å)
H1	-0.268	1.200	-0.006
N2	-1.359	1.101	0.000
N3	1.329	1.167	-0.003
C4	-1.940	-0.088	0.002
O5	-1.359	-1.176	-0.003
C6	1.946	0.033	0.002
N7	1.313	-1.136	-0.000
H8	0.251	-1.182	-0.007
H9	-1.958	1.921	0.005
H10	-3.058	-0.060	0.009
H11	1.975	1.957	-0.000
H12	3.050	-0.037	0.010
H13	1.856	-1.989	0.005

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0952	1.5981	2.1107	2.6146	2.5033	2.8211	2.4377	1.8372	3.0614	2.3672	3.5419	3.8326
N2	1.0952		2.6892	1.3234	2.2772	3.4734	3.4849	2.7930	1.0157	2.0580	3.4418	4.5540	4.4598
N3	1.5981	2.6892		3.5023	3.5660	1.2912	2.3029	2.5847	3.3729	4.5561	1.0200	2.1006	3.2003
C4	2.1107	1.3234	3.5023		1.2340	3.8882	3.4183	2.4487	2.0092	1.1183	4.4169	4.9910	4.2463
O5	2.6146	2.2772	3.5660	1.2340		3.5188	2.6723	1.6091	3.1548	2.0335	4.5747	4.5538	3.3163
C6	2.5033	3.4734	1.2912	3.8882	3.5188		1.3287	2.0855	4.3368	5.0051	1.9247	1.1067	2.0242
N7	2.8211	3.4849	2.3029	3.4183	2.6723	1.3287		1.0639	4.4774	4.5021	3.1628	2.0552	1.0118
H8	2.4377	2.7930	2.5847	2.4487	1.6091	2.0855	1.0639		3.8086	3.4938	3.5811	3.0248	1.7977
H9	1.8372	1.0157	3.3729	2.0092	3.1548	4.3368	4.4774	3.8086		2.2661	3.9329	5.3778	5.4629
H10	3.0614	2.0580	4.5561	1.1183	2.0335	5.0051	4.5021	3.4938	2.2661		5.4221	6.1087	5.2799
H11	2.3672	3.4418	1.0200	4.4169	4.5747	1.9247	3.1628	3.5811	3.9329	5.4221		2.2661	3.9485
H12	3.5419	4.5540	2.1006	4.9910	4.5538	1.1067	2.0552	3.0248	5.3778	6.1087	2.2661		2.2885
H13	3.8326	4.4598	3.2003	4.2463	3.3163	2.0242	1.0118	1.7977	5.4629	5.2799	3.9485	2.2885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.256	H1	N2	H9	120.947
H1	N3	C6	119.712	H1	N3	H11	128.049
N2	H1	N3	173.600	N2	C4	O5	125.817
N2	C4	H10	114.621	N3	C6	N7	123.044
N3	C6	H12	122.149	C4	N2	H9	117.797
C4	O5	H8	118.318	O5	C4	H10	119.561
O5	H8	N7	177.283	C6	N3	H11	112.238
C6	N7	H8	120.903	C6	N7	H13	119.116
N7	C6	H12	114.807	H8	N7	H13	119.981

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	H	0.306
2	N	-0.463
3	N	-0.460
4	C	0.049
5	O	-0.304
6	C	0.009
7	N	-0.457
8	H	0.317
9	H	0.266
10	H	0.098
11	H	0.247
12	H	0.116
13	H	0.276

	x	y	z	Total
	1.492	1.435	0.024	2.070
CHELPG
AIM
ESP

	x	y	z
x	9.757	-0.426	0.000
y	-0.426	9.326	-0.001
z	0.000	-0.001	3.767

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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