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	hartrees
Energy at 0K	-319.956214
Energy at 298.15K	-319.965435
Nuclear repulsion energy	71.924887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3720	3587	100.11
2	A	3674	3543	67.06
3	A	3551	3424	6.93
4	A	3368	3248	734.53
5	A	3150	3037	768.40
6	A	3070	2960	115.49
7	A	2988	2881	187.27
8	A	1773	1710	675.71
9	A	1729	1667	115.37
10	A	1664	1604	3.97
11	A	1642	1584	3.62
12	A	1433	1381	40.17
13	A	1423	1372	16.67
14	A	1368	1319	41.41
15	A	1345	1297	105.78
16	A	1157	1116	81.08
17	A	1114	1074	0.98
18	A	1102	1062	3.58
19	A	1061	1023	12.41
20	A	1051	1013	0.37
21	A	889	857	71.89
22	A	792	764	3.05
23	A	743	716	155.73
24	A	639	616	10.20
25	A	584	563	8.50
26	A	505	487	105.65
27	A	351	339	77.68
28	A	212	205	83.34
29	A	164	158	1.10
30	A	162	156	3.80
31	A	156	150	0.84
32	A	112	108	122.99
33	A	57	55	3.43

Atom	x (Å)	y (Å)	z (Å)
H1	-0.484	1.213	-0.000
N2	-1.515	1.099	0.000
N3	1.428	1.186	0.000
C4	-2.077	-0.122	0.000
O5	-1.459	-1.190	-0.000
C6	2.078	0.069	0.000
N7	1.475	-1.139	-0.000
H8	0.453	-1.216	-0.000
H9	-2.107	1.916	0.000
H10	-3.182	-0.110	0.000
H11	2.068	1.976	0.000
H12	3.174	0.017	0.000
H13	2.028	-1.979	-0.000

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0373	1.9125	2.0777	2.5934	2.8067	3.0611	2.6039	1.7686	3.0043	2.6643	3.8489	4.0621
N2	1.0373		2.9447	1.3440	2.2905	3.7388	3.7353	3.0392	1.0088	2.0590	3.6894	4.8127	4.6941
N3	1.9125	2.9447		3.7407	3.7391	1.2929	2.3254	2.5929	3.6097	4.7884	1.0166	2.1013	3.2212
C4	2.0777	1.3440	3.7407		1.2343	4.1595	3.6943	2.7561	2.0385	1.1052	4.6455	5.2523	4.5055
O5	2.5934	2.2905	3.7391	1.2343		3.7547	2.9342	1.9118	3.1737	2.0336	4.7397	4.7874	3.5753
C6	2.8067	3.7388	1.2929	4.1595	3.7547		1.3501	2.0724	4.5753	5.2632	1.9069	1.0966	2.0480
N7	3.0611	3.7353	2.3254	3.6943	2.9342	1.3501		1.0251	4.7081	4.7689	3.1705	2.0548	1.0058
H8	2.6039	3.0392	2.5929	2.7561	1.9118	2.0724	1.0251		4.0457	3.7991	3.5777	2.9876	1.7504
H9	1.7686	1.0088	3.6097	2.0385	3.1737	4.5753	4.7081	4.0457		2.2938	4.1759	5.6123	5.6811
H10	3.0043	2.0590	4.7884	1.1052	2.0336	5.2632	4.7689	3.7991	2.2938		5.6492	6.3569	5.5352
H11	2.6643	3.6894	1.0166	4.6455	4.7397	1.9069	3.1705	3.5777	4.1759	5.6492		2.2492	3.9545
H12	3.8489	4.8127	2.1013	5.2523	4.7874	1.0966	2.0548	2.9876	5.6123	6.3569	2.2492		2.3008
H13	4.0621	4.6941	3.2212	4.5055	3.5753	2.0480	1.0058	1.7504	5.6811	5.5352	3.9545	2.3008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.962	H1	N2	H9	119.629
H1	N3	C6	121.014	H1	N3	H11	128.243
N2	H1	N3	172.912	N2	C4	O5	125.286
N2	C4	H10	114.069	N3	C6	N7	123.236
N3	C6	H12	122.924	C4	N2	H9	119.409
C4	O5	H8	120.816	O5	C4	H10	120.645
O5	H8	N7	174.879	C6	N3	H11	110.743
C6	N7	H8	120.895	C6	N7	H13	120.050
N7	C6	H12	113.840	H8	N7	H13	119.055

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

using model chemistry: B3LYP_cp_opt/6-31+G**

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	-0.555
4	C	0.000
5	O	0.000
6	C	0.076
7	N	-0.498
8	H	0.316
9	H	0.000
10	H	0.000
11	H	0.250
12	H	0.113
13	H	0.298

	x	y	z	Total
	1.332	1.657	0.000	2.126
CHELPG
AIM
ESP

	x	y	z
x	4.293	0.292	0.000
y	0.292	6.253	0.000
z	0.000	0.000	3.113

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP_cp_opt/6-31+G**

States and conformations

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