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	hartrees
Energy at 0K	-318.023479
Energy at 298.15K	-318.032780
Nuclear repulsion energy	72.834503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3934	3535	101.64
2	A	3930	3531	106.34
3	A	3777	3393	1.37
4	A	3739	3360	379.66
5	A	3643	3273	406.29
6	A	3276	2943	78.72
7	A	3213	2887	151.17
8	A	1970	1770	711.38
9	A	1899	1707	175.20
10	A	1831	1645	25.43
11	A	1815	1631	26.36
12	A	1586	1425	64.76
13	A	1568	1408	24.55
14	A	1476	1326	43.36
15	A	1440	1294	147.33
16	A	1254	1127	90.93
17	A	1212	1089	18.31
18	A	1202	1080	0.62
19	A	1195	1074	0.67
20	A	1187	1066	10.89
21	A	885	796	204.76
22	A	867	779	25.29
23	A	754	678	161.06
24	A	672	604	18.97
25	A	618	556	9.24
26	A	466	419	146.35
27	A	384	345	185.26
28	A	191	172	53.59
29	A	166	149	8.77
30	A	148	133	2.45
31	A	143	128	11.77
32	A	125	112	108.33
33	A	57	51	11.32

Atom	x (Å)	y (Å)	z (Å)
H1	0.600	1.211	0.034
N2	1.600	1.082	0.042
N3	-1.486	1.174	-0.024
C4	2.126	-0.142	-0.009
O5	1.503	-1.170	-0.068
C6	-2.129	0.084	-0.030
N7	-1.553	-1.126	0.114
H8	-0.554	-1.202	0.067
H9	2.190	1.880	0.096
H10	3.217	-0.148	0.007
H11	-2.108	1.955	-0.105
H12	-3.207	0.038	-0.124
H13	-2.076	-1.937	-0.117

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0085	2.0865	2.0405	2.5485	2.9522	3.1781	2.6742	1.7261	2.9488	2.8111	3.9866	4.1345
N2	1.0085		3.0877	1.3342	2.2573	3.8603	3.8500	3.1394	0.9931	2.0319	3.8116	4.9221	4.7601
N3	2.0865	3.0877		3.8447	3.7988	1.2655	2.3057	2.5541	3.7443	4.8849	1.0012	2.0654	3.1688
C4	2.0405	1.3342	3.8447		1.2034	4.2610	3.8104	2.8828	2.0258	1.0906	4.7260	5.3378	4.5712
O5	2.5485	2.2573	3.7988	1.2034		3.8422	3.0616	2.0613	3.1304	1.9971	4.7753	4.8628	3.6609
C6	2.9522	3.8603	1.2655	4.2610	3.8422		1.3480	2.0355	4.6782	5.3505	1.8722	1.0837	2.0243
N7	3.1781	3.8500	2.3057	3.8104	3.0616	1.3480		1.0032	4.8001	4.8702	3.1382	2.0365	0.9928
H8	2.6742	3.1394	2.5541	2.8828	2.0613	2.0355	1.0032		4.1257	3.9155	3.5226	2.9348	1.7010
H9	1.7261	0.9931	3.7443	2.0258	3.1304	4.6782	4.8001	4.1257		2.2743	4.3027	5.7067	5.7283
H10	2.9488	2.0319	4.8849	1.0906	1.9971	5.3505	4.8702	3.9155	2.2743		5.7256	6.4279	5.5889
H11	2.8111	3.8116	1.0012	4.7260	4.7753	1.8722	3.1382	3.5226	4.3027	5.7256		2.2103	3.8925
H12	3.9866	4.9221	2.0654	5.3378	4.8628	1.0837	2.0365	2.9348	5.7067	6.4279	2.2103		2.2759
H13	4.1345	4.7601	3.1688	4.5712	3.6609	2.0243	0.9928	1.7010	5.7283	5.5889	3.8925	2.2759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.522	H1	N2	H9	119.166
H1	N3	C6	121.517	H1	N3	H11	127.557
N2	H1	N3	171.616	N2	C4	O5	125.553
N2	C4	H10	113.474	N3	C6	N7	123.786
N3	C6	H12	122.893	C4	N2	H9	120.309
C4	O5	H8	121.785	O5	C4	H10	120.973
O5	H8	N7	174.694	C6	N3	H11	110.830
C6	N7	H8	119.209	C6	N7	H13	118.934
N7	C6	H12	113.300	H8	N7	H13	116.900

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

using model chemistry: HF_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	-0.703
4	C	0.000
5	O	0.000
6	C	0.318
7	N	-0.868
8	H	0.393
9	H	0.000
10	H	0.000
11	H	0.322
12	H	0.160
13	H	0.378

	x	y	z	Total
	-1.081	1.778	-0.493	2.139
CHELPG
AIM
ESP

	x	y	z
x	3.248	0.240	0.136
y	0.240	5.058	-0.101
z	0.136	-0.101	1.575

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF_cp_opt/6-31G*

States and conformations

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