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	hartrees
Energy at 0K	-316.867242
Energy at 298.15K	-316.876888
Nuclear repulsion energy	71.247748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3674	3507	81.16
2	A'	3634	3468	51.44
3	A'	3399	3244	6.51
4	A'	3377	3223	560.55
5	A'	3124	2982	652.97
6	A'	3069	2930	117.23
7	A'	2990	2854	260.01
8	A'	1802	1720	76.42
9	A'	1772	1692	243.11
10	A'	1712	1634	82.73
11	A'	1676	1600	0.80
12	A'	1476	1409	25.20
13	A'	1423	1358	59.30
14	A'	1400	1337	26.47
15	A'	1341	1280	79.89
16	A'	1168	1115	111.34
17	A'	1125	1073	6.68
18	A'	1116	1065	2.72
19	A'	659	629	9.81
20	A'	597	569	8.75
21	A'	239	228	63.73
22	A'	176	168	3.37
23	A'	156	149	2.50
24	A"	1118	1067	59.61
25	A"	1092	1042	1.99
26	A"	1006	960	257.83
27	A"	850	811	81.37
28	A"	804	768	158.38
29	A"	552	527	131.08
30	A"	388	370	100.72
31	A"	221	211	1.38
32	A"	158	151	82.88
33	A"	66	63	10.14

Atom	x (Å)	y (Å)
H1	0.000	1.319
N2	-1.001	1.605
N3	1.760	0.581
C4	-1.984	0.664
O5	-1.811	-0.583
C6	1.974	-0.709
N7	0.960	-1.626
H8	-0.020	-1.320
H9	-1.244	2.587
H10	-2.995	1.106
H11	2.644	1.108
H12	2.969	-1.168
H13	1.167	-2.614

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0411	1.9088	2.0896	2.6263	2.8298	3.0973	2.6390	1.7762	3.0021	2.6525	3.8727	4.1020
N2	1.0411		2.9451	1.3605	2.3328	3.7686	3.7790	3.0848	1.0118	2.0548	3.6789	4.8422	4.7428
N3	1.9088	2.9451		3.7457	3.7562	1.3074	2.3476	2.6043	3.6124	4.7838	1.0291	2.1255	3.2490
C4	2.0896	1.3605	3.7457		1.2596	4.1896	3.7301	2.7924	2.0601	1.1024	4.6498	5.2814	4.5473
O5	2.6263	2.3328	3.7562	1.2596		3.7867	2.9603	1.9366	3.2202	2.0626	4.7652	4.8156	3.6044
C6	2.8298	3.7686	1.3074	4.1896	3.7867		1.3672	2.0851	4.6060	5.2894	1.9368	1.0959	2.0681
N7	3.0973	3.7790	2.3476	3.7301	2.9603	1.3672		1.0262	4.7543	4.8062	3.2113	2.0611	1.0091
H8	2.6390	3.0848	2.6043	2.7924	1.9366	2.0851	1.0262		4.0940	3.8385	3.6045	2.9928	1.7557
H9	1.7762	1.0118	3.6124	2.0601	3.2202	4.6060	4.7543	4.0940		2.2928	4.1598	5.6431	5.7321
H10	3.0021	2.0548	4.7838	1.1024	2.0626	5.2894	4.8062	3.8385	2.2928		5.6387	6.3823	5.5818
H11	2.6525	3.6789	1.0291	4.6498	4.7652	1.9368	3.2113	3.6045	4.1598	5.6387		2.2986	4.0038
H12	3.8727	4.8422	2.1255	5.2814	4.8156	1.0959	2.0611	2.9928	5.6431	6.3823	2.2986		2.3102
H13	4.1020	4.7428	3.2490	4.5473	3.6044	2.0681	1.0091	1.7557	5.7321	5.5818	4.0038	2.3102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.360	H1	N2	H9	119.814
H1	N3	C6	122.138	H1	N3	H11	126.439
N2	H1	N3	173.178	N2	C4	O5	125.795
N2	C4	H10	112.666	N3	C6	N7	122.730
N3	C6	H12	124.122	C4	N2	H9	119.826
C4	O5	H8	120.282	O5	C4	H10	121.539
O5	H8	N7	174.987	C6	N3	H11	111.423
C6	N7	H8	120.530	C6	N7	H13	120.242
N7	C6	H12	113.148	H8	N7	H13	119.228

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

using model chemistry: MP2_cp_opt/3-21G

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	-0.699
4	C	0.000
5	O	0.000
6	C	0.417
7	N	-0.899
8	H	0.363
9	H	0.000
10	H	0.000
11	H	0.268
12	H	0.207
13	H	0.344

	x	y	z	Total
	2.081	1.250	0.000	2.428
CHELPG
AIM
ESP

	x	y	z
x	3.375	0.636	0.000
y	0.636	4.890	0.000
z	0.000	0.000	0.976

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2_cp_opt/3-21G

States and conformations

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