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	hartrees
Energy at 0K	-319.536662
Energy at 298.15K	-319.527677
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3563	64.06
2	A	3564	3513	36.17
3	A	3442	3392	1.56
4	A	3187	3141	973.26
5	A	2992	2949	58.17
6	A	2920	2879	760.95
7	A	2884	2843	512.87
8	A	1761	1736	485.12
9	A	1717	1692	90.12
10	A	1642	1619	2.91
11	A	1622	1599	2.18
12	A	1407	1387	21.78
13	A	1392	1373	11.75
14	A	1349	1330	24.20
15	A	1334	1315	69.64
16	A	1141	1125	58.82
17	A	1106	1090	1.86
18	A	1087	1072	7.73
19	A	1034	1019	30.59
20	A	1005	990	0.38
21	A	906	893	59.10
22	A	820	808	27.27
23	A	729	718	148.54
24	A	643	634	9.11
25	A	581	572	5.89
26	A	499	492	102.57
27	A	347	343	72.58
28	A	257	253	88.22
29	A	198	195	1.17
30	A	169	167	0.51
31	A	147	145	10.41
32	A	106	104	106.89
33	A	62	61	1.32

Atom	x (Å)	y (Å)	z (Å)
H1	0.407	1.219	0.018
N2	1.458	1.114	0.014
N3	-1.416	1.184	-0.001
C4	2.042	-0.100	-0.007
O5	1.454	-1.195	-0.028
C6	-2.049	0.047	-0.022
N7	-1.420	-1.149	0.064
H8	-0.381	-1.198	0.037
H9	2.046	1.944	0.037
H10	3.159	-0.058	-0.005
H11	-2.081	1.963	-0.047
H12	-3.150	-0.033	-0.090
H13	-1.948	-2.000	-0.092

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0560	1.8238	2.1005	2.6316	2.7214	2.9907	2.5417	1.7922	3.0330	2.5984	3.7728	3.9901
N2	1.0560		2.8752	1.3475	2.3098	3.6658	3.6613	2.9542	1.0175	2.0652	3.6405	4.7502	4.6166
N3	1.8238	2.8752		3.6891	3.7286	1.3015	2.3336	2.5973	3.5447	4.7403	1.0253	2.1206	3.2297
C4	2.1005	1.3475	3.6891		1.2432	4.0935	3.6181	2.6606	2.0449	1.1172	4.6110	5.1934	4.4205
O5	2.6316	2.3098	3.7286	1.2432		3.7168	2.8762	1.8366	3.1955	2.0490	4.7410	4.7493	3.4971
C6	2.7214	3.6658	1.3015	4.0935	3.7168		1.3535	2.0817	4.5132	5.2083	1.9164	1.1065	2.0507
N7	2.9907	3.6613	2.3336	3.6181	2.8762	1.3535		1.0404	4.6453	4.7071	3.1829	2.0642	1.0142
H8	2.5417	2.9542	2.5973	2.6606	1.8366	2.0817	1.0404		3.9702	3.7188	3.5899	3.0066	1.7654
H9	1.7922	1.0175	3.5447	2.0449	3.1955	4.5132	4.6453	3.9702		2.2910	4.1282	5.5611	5.6150
H10	3.0330	2.0652	4.7403	1.1172	2.0490	5.2083	4.7071	3.7188	2.2910		5.6163	6.3093	5.4644
H11	2.5984	3.6405	1.0253	4.6110	4.7410	1.9164	3.1829	3.5899	4.1282	5.6163		2.2647	3.9655
H12	3.7728	4.7502	2.1206	5.1934	4.7493	1.1065	2.0642	3.0066	5.5611	6.3093	2.2647		2.3049
H13	3.9901	4.6166	3.2297	4.4205	3.4971	2.0507	1.0142	1.7654	5.6150	5.4644	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: PBEPBE_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
	-1.406	1.482	-0.322	2.067
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: PBEPBE_cp/6-31G*

States and conformations

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