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	hartrees
Energy at 0K	-319.535856
Energy at 298.15K	-319.526845
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3555	64.08
2	A	3564	3505	36.05
3	A	3442	3385	1.56
4	A	3186	3133	977.46
5	A	2991	2942	58.84
6	A	2919	2870	739.61
7	A	2884	2837	534.08
8	A	1761	1732	487.59
9	A	1716	1687	87.83
10	A	1641	1614	3.14
11	A	1621	1595	2.11
12	A	1406	1383	22.02
13	A	1392	1370	11.67
14	A	1348	1326	25.43
15	A	1333	1311	68.00
16	A	1141	1122	58.51
17	A	1105	1087	1.92
18	A	1087	1069	7.80
19	A	1033	1016	30.07
20	A	1004	988	0.38
21	A	905	890	59.72
22	A	817	804	26.11
23	A	728	716	149.49
24	A	643	632	9.16
25	A	579	570	5.87
26	A	500	491	103.59
27	A	345	340	72.16
28	A	257	252	88.51
29	A	197	193	1.13
30	A	168	166	0.51
31	A	147	144	10.63
32	A	103	101	106.16
33	A	61	60	1.32

Atom	x (Å)	y (Å)	z (Å)
H1	0.407	1.219	0.018
N2	1.458	1.114	0.015
N3	-1.416	1.184	-0.001
C4	2.042	-0.100	-0.007
O5	1.454	-1.195	-0.028
C6	-2.048	0.047	-0.023
N7	-1.420	-1.149	0.064
H8	-0.381	-1.198	0.037
H9	2.046	1.944	0.036
H10	3.158	-0.058	-0.006
H11	-2.081	1.963	-0.047
H12	-3.150	-0.033	-0.091
H13	-1.948	-2.000	-0.091

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0562	1.8228	2.1007	2.6319	2.7206	2.9903	2.5418	1.7923	3.0332	2.5973	3.7719	3.9898
N2	1.0562		2.8742	1.3475	2.3098	3.6650	3.6608	2.9541	1.0175	2.0653	3.6394	4.7493	4.6163
N3	1.8228	2.8742		3.6882	3.7280	1.3015	2.3336	2.5975	3.5438	4.7394	1.0253	2.1206	3.2298
C4	2.1007	1.3475	3.6882		1.2432	4.0928	3.6175	2.6602	2.0448	1.1172	4.6101	5.1927	4.4202
O5	2.6319	2.3098	3.7280	1.2432		3.7162	2.8757	1.8361	3.1955	2.0490	4.7404	4.7487	3.4968
C6	2.7206	3.6650	1.3015	4.0928	3.7162		1.3535	2.0818	4.5125	5.2075	1.9164	1.1065	2.0507
N7	2.9903	3.6608	2.3336	3.6175	2.8757	1.3535		1.0404	4.6448	4.7066	3.1829	2.0642	1.0142
H8	2.5418	2.9541	2.5975	2.6602	1.8361	2.0818	1.0404		3.9700	3.7184	3.5901	3.0067	1.7655
H9	1.7923	1.0175	3.5438	2.0448	3.1955	4.5125	4.6448	3.9700		2.2909	4.1271	5.5603	5.6147
H10	3.0332	2.0653	4.7394	1.1172	2.0490	5.2075	4.7066	3.7184	2.2909		5.6153	6.3085	5.4640
H11	2.5973	3.6394	1.0253	4.6101	4.7404	1.9164	3.1829	3.5901	4.1271	5.6153		2.2647	3.9655
H12	3.7719	4.7493	2.1206	5.1927	4.7487	1.1065	2.0642	3.0067	5.5603	6.3085	2.2647		2.3049
H13	3.9898	4.6163	3.2298	4.4202	3.4968	2.0507	1.0142	1.7655	5.6147	5.4640	3.9655	2.3049

Number	Element	Mulliken
1	H	0.398
2	N	-0.701
3	N	-0.626
4	C	0.305
5	O	-0.452
6	C	0.221
7	N	-0.710
8	H	0.386
9	H	0.321
10	H	0.109
11	H	0.291
12	H	0.129
13	H	0.329

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

using model chemistry: PBEPBEultrafine_cp/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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	x	y	z	Total
	-1.407	1.482	-0.323	2.069
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBEultrafine_cp/6-31G*

States and conformations

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