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	hartrees
Energy at 0K	-319.956214
Energy at 298.15K	-319.965436
Nuclear repulsion energy	71.925011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3586	100.31
2	A'	3674	3541	67.10
3	A'	3552	3424	6.92
4	A'	3369	3248	734.44
5	A'	3150	3037	769.04
6	A'	3069	2958	114.53
7	A'	2987	2880	186.87
8	A'	1773	1710	675.89
9	A'	1729	1667	115.52
10	A'	1664	1604	3.98
11	A'	1643	1583	3.65
12	A'	1433	1381	40.05
13	A'	1423	1372	16.63
14	A'	1368	1319	41.39
15	A'	1345	1297	105.80
16	A'	1157	1116	81.03
17	A'	1114	1074	0.97
18	A'	1102	1062	3.58
19	A'	639	616	10.20
20	A'	584	563	8.48
21	A'	212	205	83.30
22	A'	164	158	1.10
23	A'	156	150	0.86
24	A"	1060	1022	12.24
25	A"	1050	1012	0.33
26	A"	888	856	71.88
27	A"	792	763	4.18
28	A"	743	716	154.63
29	A"	506	488	106.39
30	A"	353	340	79.80
31	A"	162	156	2.97
32	A"	112	108	120.87
33	A"	57	55	3.71

Atom	x (Å)	y (Å)
H1	-0.031	-1.306
N2	-1.037	-1.559
N3	1.752	-0.614
C4	-1.989	-0.610
O5	-1.782	0.607
C6	1.972	0.661
N7	0.985	1.582
H8	0.000	1.298
H9	-1.307	-2.531
H10	-3.020	-1.006
H11	2.627	-1.130
H12	2.980	1.091
H13	1.211	2.562

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0372	1.9126	2.0777	2.5934	2.8068	3.0613	2.6041	1.7686	3.0043	2.6643	3.8490	4.0624
N2	1.0372		2.9447	1.3440	2.2905	3.7389	3.7354	3.0394	1.0088	2.0590	3.6894	4.8128	4.6942
N3	1.9126	2.9447		3.7406	3.7390	1.2929	2.3254	2.5929	3.6098	4.7884	1.0167	2.1013	3.2212
C4	2.0777	1.3440	3.7406		1.2343	4.1595	3.6943	2.7561	2.0385	1.1052	4.6454	5.2523	4.5056
O5	2.5934	2.2905	3.7390	1.2343		3.7547	2.9342	1.9117	3.1738	2.0336	4.7396	4.7874	3.5754
C6	2.8068	3.7389	1.2929	4.1595	3.7547		1.3500	2.0724	4.5754	5.2633	1.9069	1.0966	2.0480
N7	3.0613	3.7354	2.3254	3.6943	2.9342	1.3500		1.0251	4.7082	4.7690	3.1705	2.0548	1.0058
H8	2.6041	3.0394	2.5929	2.7561	1.9117	2.0724	1.0251		4.0459	3.7992	3.5777	2.9876	1.7504
H9	1.7686	1.0088	3.6098	2.0385	3.1738	4.5754	4.7082	4.0459		2.2938	4.1760	5.6124	5.6813
H10	3.0043	2.0590	4.7884	1.1052	2.0336	5.2633	4.7690	3.7992	2.2938		5.6492	6.3569	5.5352
H11	2.6643	3.6894	1.0167	4.6454	4.7396	1.9069	3.1705	3.5777	4.1760	5.6492		2.2493	3.9545
H12	3.8490	4.8128	2.1013	5.2523	4.7874	1.0966	2.0548	2.9876	5.6124	6.3569	2.2493		2.3008
H13	4.0624	4.6942	3.2212	4.5056	3.5754	2.0480	1.0058	1.7504	5.6813	5.5352	3.9545	2.3008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.962	H1	N2	H9	119.627
H1	N3	C6	121.021	H1	N3	H11	128.235
N2	H1	N3	172.904	N2	C4	O5	125.287
N2	C4	H10	114.069	N3	C6	N7	123.235
N3	C6	H12	122.925	C4	N2	H9	119.411
C4	O5	H8	120.822	O5	C4	H10	120.644
O5	H8	N7	174.872	C6	N3	H11	110.744
C6	N7	H8	120.896	C6	N7	H13	120.051
N7	C6	H12	113.840	H8	N7	H13	119.053

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

using model chemistry: B3LYPultrafine_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
	1.826	-1.089	0.000	2.126
CHELPG
AIM
ESP

	x	y	z
x	4.338	-0.413	0.000
y	-0.413	6.208	0.000
z	0.000	0.000	3.114

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine_cp_opt/6-31+G**

States and conformations

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