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	hartrees
Energy at 0K	-318.063186
Energy at 298.15K	-318.072340
Nuclear repulsion energy	72.853506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3969	3588	132.48
2	A'	3941	3563	120.85
3	A'	3801	3436	9.02
4	A'	3745	3386	386.60
5	A'	3640	3292	402.32
6	A'	3256	2944	67.56
7	A'	3199	2893	124.84
8	A'	1935	1750	846.35
9	A'	1870	1690	211.23
10	A'	1809	1636	26.27
11	A'	1789	1617	20.75
12	A'	1565	1415	58.32
13	A'	1550	1402	26.51
14	A'	1460	1320	67.62
15	A'	1430	1293	159.67
16	A'	1239	1121	117.20
17	A'	1195	1081	2.66
18	A'	1188	1074	4.25
19	A'	666	602	18.05
20	A'	616	557	11.43
21	A'	179	162	60.31
22	A'	147	133	0.08
23	A'	139	126	2.77
24	A"	1192	1078	0.44
25	A"	1188	1075	0.15
26	A"	862	780	184.04
27	A"	852	771	14.74
28	A"	732	662	91.73
29	A"	496	448	147.38
30	A"	330	298	107.97
31	A"	155	140	4.88
32	A"	98	88	167.98
33	A"	45	41	0.41

Atom	x (Å)	y (Å)
H1	-0.050	-1.359
N2	-1.011	-1.662
N3	1.850	-0.441
C4	-2.001	-0.768
O5	-1.858	0.430
C6	1.978	0.822
N7	0.944	1.677
H8	0.000	1.342
H9	-1.217	-2.632
H10	-2.997	-1.211
H11	2.743	-0.891
H12	2.946	1.311
H13	1.104	2.655

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0075	2.1107	2.0384	2.5436	2.9783	3.1952	2.7013	1.7271	2.9509	2.8319	4.0128	4.1767
N2	1.0075		3.1110	1.3335	2.2564	3.8862	3.8693	3.1689	0.9921	2.0366	3.8323	4.9488	4.8068
N3	2.1107	3.1110		3.8650	3.8093	1.2691	2.3039	2.5689	3.7700	4.9084	1.0001	2.0656	3.1842
C4	2.0384	1.3335	3.8650		1.2061	4.2845	3.8277	2.9076	2.0220	1.0906	4.7454	5.3655	4.6211
O5	2.5436	2.2564	3.8093	1.2061		3.8560	3.0674	2.0701	3.1281	1.9975	4.7871	4.8840	3.7048
C6	2.9783	3.8862	1.2691	4.2845	3.8560		1.3419	2.0447	4.7054	5.3745	1.8767	1.0842	2.0304
N7	3.1952	3.8693	2.3039	3.8277	3.0674	1.3419		1.0017	4.8211	4.8864	3.1363	2.0351	0.9904
H8	2.7013	3.1689	2.5689	2.9076	2.0701	2.0447	1.0017		4.1560	3.9371	3.5369	2.9457	1.7155
H9	1.7271	0.9921	3.7700	2.0220	3.1281	4.7054	4.8211	4.1560		2.2774	4.3260	5.7338	5.7741
H10	2.9509	2.0366	4.9084	1.0906	1.9975	5.3745	4.8864	3.9371	2.2774		5.7491	6.4559	5.6361
H11	2.8319	3.8323	1.0001	4.7454	4.7871	1.8767	3.1363	3.5369	4.3260	5.7491		2.2114	3.9068
H12	4.0128	4.9488	2.0656	5.3655	4.8840	1.0842	2.0351	2.9457	5.7338	6.4559	2.2114		2.2802
H13	4.1767	4.8068	3.1842	4.6211	3.7048	2.0304	0.9904	1.7155	5.7741	5.6361	3.9068	2.2802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.453	H1	N2	H9	119.470
H1	N3	C6	121.565	H1	N3	H11	127.404
N2	H1	N3	171.666	N2	C4	O5	125.294
N2	C4	H10	113.941	N3	C6	N7	123.837
N3	C6	H12	122.547	C4	N2	H9	120.077
C4	O5	H8	122.925	O5	C4	H10	120.766
O5	H8	N7	173.451	C6	N3	H11	111.031
C6	N7	H8	120.810	C6	N7	H13	120.304
N7	C6	H12	113.616	H8	N7	H13	118.886

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

using model chemistry: HF_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	-0.635
4	C	0.000
5	O	0.000
6	C	0.225
7	N	-0.640
8	H	0.346
9	H	0.000
10	H	0.000
11	H	0.257
12	H	0.126
13	H	0.321

	x	y	z	Total
	1.730	-1.089	0.000	2.044
CHELPG
AIM
ESP

	x	y	z
x	3.752	-0.445	0.000
y	-0.445	5.511	0.000
z	0.000	0.000	2.796

<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/6-31+G**

States and conformations

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