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	hartrees
Energy at 0K	-319.712940
Energy at 298.15K	-319.722357
HF Energy	-319.712940
Nuclear repulsion energy	231.251288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3597	87.15
2	A	3701	3557	60.07
3	A	3584	3444	7.08
4	A	3320	3191	898.52
5	A	3086	2966	653.88
6	A	3063	2944	257.50
7	A	2964	2849	223.12
8	A	1801	1731	608.69
9	A	1745	1677	97.11
10	A	1671	1606	4.05
11	A	1652	1587	2.39
12	A	1442	1386	26.93
13	A	1427	1372	16.49
14	A	1372	1319	8.39
15	A	1365	1312	127.10
16	A	1166	1121	69.83
17	A	1128	1084	0.88
18	A	1113	1070	7.21
19	A	1077	1035	10.96
20	A	1063	1022	0.06
21	A	921	885	47.03
22	A	818	786	2.45
23	A	756	726	122.78
24	A	655	630	10.40
25	A	593	570	7.19
26	A	513	493	82.13
27	A	361	347	59.10
28	A	243	233	89.97
29	A	186	179	2.14
30	A	169	163	4.55
31	A	161	155	0.52
32	A	111	106	100.86
33	A	61	59	4.59

Atom	x (Å)	y (Å)	z (Å)
H1	0.437	1.204	-0.000
N2	1.468	1.096	0.000
N3	-1.411	1.174	-0.000
C4	2.033	-0.110	0.000
O5	1.436	-1.177	-0.000
C6	-2.036	0.054	0.000
N7	-1.422	-1.134	0.000
H8	-0.400	-1.198	0.000
H9	2.057	1.909	0.001
H10	3.137	-0.085	0.000
H11	-2.060	1.949	-0.000
H12	-3.128	-0.011	-0.000
H13	-1.966	-1.973	0.000

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0369	1.8481	2.0670	2.5819	2.7271	2.9869	2.5439	1.7666	2.9923	2.6061	3.7666	3.9837
N2	1.0369		2.8803	1.3319	2.2735	3.6561	3.6510	2.9594	1.0030	2.0450	3.6302	4.7283	4.6067
N3	1.8481	2.8803		3.6754	3.6924	1.2824	2.3084	2.5788	3.5447	4.7193	1.0110	2.0866	3.1960
C4	2.0670	1.3319	3.6754		1.2225	4.0724	3.6035	2.6656	2.0186	1.1046	4.5818	5.1624	4.4123
O5	2.5819	2.2735	3.6924	1.2225		3.6843	2.8585	1.8367	3.1473	2.0210	4.6901	4.7115	3.4948
C6	2.7271	3.6561	1.2824	4.0724	3.6843		1.3381	2.0605	4.4934	5.1753	1.8945	1.0944	2.0289
N7	2.9869	3.6510	2.3084	3.6035	2.8585	1.3381		1.0237	4.6218	4.6782	3.1486	2.0434	1.0002
H8	2.5439	2.9594	2.5788	2.6656	1.8367	2.0605	1.0237		3.9612	3.7084	3.5583	2.9757	1.7475
H9	1.7666	1.0030	3.5447	2.0186	3.1473	4.4934	4.6218	3.9612		2.2679	4.1174	5.5292	5.5908
H10	2.9923	2.0450	4.7193	1.1046	2.0210	5.1753	4.6782	3.7084	2.2679		5.5815	6.2662	5.4418
H11	2.6061	3.6302	1.0110	4.5818	4.6901	1.8945	3.1486	3.5583	4.1174	5.5815		2.2317	3.9232
H12	3.7666	4.7283	2.0866	5.1624	4.7115	1.0944	2.0434	2.9757	5.5292	6.2662	2.2317		2.2808
H13	3.9837	4.6067	3.1960	4.4123	3.4948	2.0289	1.0002	1.7475	5.5908	5.4418	3.9232	2.2808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.023	H1	N2	H9	119.988
H1	N3	C6	120.101	H1	N3	H11	129.053
N2	H1	N3	173.140	N2	C4	O5	125.707
N2	C4	H10	113.817	N3	C6	N7	123.494
N3	C6	H12	122.591	C4	N2	H9	118.989
C4	O5	H8	119.882	O5	C4	H10	120.477
O5	H8	N7	175.740	C6	N3	H11	110.846
C6	N7	H8	120.914	C6	N7	H13	119.680
N7	C6	H12	113.915	H8	N7	H13	119.406

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.183
2	N	-0.198
3	N	-0.349
4	C	0.150
5	O	-0.382
6	C	0.044
7	N	-0.217
8	H	0.204
9	H	0.145
10	H	0.062
11	H	0.125
12	H	0.083
13	H	0.150

	x	y	z	Total
	-1.246	1.485	0.001	1.938
CHELPG
AIM
ESP

	x	y	z
x	9.329	0.480	0.000
y	0.480	9.659	0.000
z	0.000	0.000	4.621

<r²>	214.235
(<r²>)^1/2	14.637

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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