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	hartrees
Energy at 0K	-318.404337
Energy at 298.15K	-318.414147
Nuclear repulsion energy	235.158049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3610	3575	76.53
2	A	3560	3525	41.84
3	A	3498	3464	15.00
4	A	2970	2941	12.58
5	A	2872	2845	100.42
6	A	2819	2791	2086.03
7	A	2417	2393	1459.42
8	A	1762	1745	616.28
9	A	1697	1681	31.51
10	A	1604	1588	10.58
11	A	1580	1565	7.77
12	A	1406	1393	7.44
13	A	1382	1369	13.50
14	A	1333	1320	78.06
15	A	1321	1308	25.36
16	A	1130	1119	31.83
17	A	1103	1092	1.99
18	A	1084	1074	53.62
19	A	1082	1072	32.46
20	A	1021	1012	2.11
21	A	978	968	4.67
22	A	914	906	24.44
23	A	719	712	108.06
24	A	670	663	6.95
25	A	591	586	5.06
26	A	566	561	71.98
27	A	432	427	41.91
28	A	326	322	143.50
29	A	242	239	0.02
30	A	188	186	0.21
31	A	170	168	0.43
32	A	146	144	74.51
33	A	61	61	12.14

Atom	x (Å)	y (Å)	z (Å)
H1	-0.288	1.196	-0.005
N2	-1.371	1.100	-0.001
N3	1.347	1.166	-0.002
C4	-1.953	-0.087	0.002
O5	-1.369	-1.172	-0.001
C6	1.956	0.031	0.002
N7	1.320	-1.134	-0.001
H8	0.260	-1.176	-0.007
H9	-1.967	1.921	0.003
H10	-3.068	-0.061	0.009
H11	1.998	1.951	0.001
H12	3.058	-0.042	0.009
H13	1.860	-1.990	0.004

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0874	1.6353	2.1021	2.6037	2.5283	2.8315	2.4351	1.8292	3.0511	2.4069	3.5674	3.8424
N2	1.0874		2.7189	1.3215	2.2720	3.4943	3.4975	2.8002	1.0150	2.0558	3.4745	4.5734	4.4702
N3	1.6353	2.7189		3.5298	3.5838	1.2878	2.3004	2.5819	3.3995	4.5823	1.0194	2.0940	3.1970
C4	2.1021	1.3215	3.5298		1.2327	3.9106	3.4366	2.4669	2.0078	1.1154	4.4451	5.0108	4.2613
O5	2.6037	2.2720	3.5838	1.2327		3.5358	2.6892	1.6292	3.1507	2.0306	4.5921	4.5686	3.3306
C6	2.5283	3.4943	1.2878	3.9106	3.5358		1.3275	2.0814	4.3548	5.0247	1.9202	1.1042	2.0230
N7	2.8315	3.4975	2.3004	3.4366	2.6892	1.3275		1.0606	4.4880	4.5176	3.1586	2.0525	1.0115
H8	2.4351	2.8002	2.5819	2.4669	1.6292	2.0814	1.0606		3.8152	3.5104	3.5772	3.0186	1.7946
H9	1.8292	1.0150	3.3995	2.0078	3.1507	4.3548	4.4880	3.8152		2.2667	3.9652	5.3948	5.4719
H10	3.0511	2.0558	4.5823	1.1154	2.0306	5.0247	4.5176	3.5104	2.2667		5.4504	6.1257	5.2921
H11	2.4069	3.4745	1.0194	4.4451	4.5921	1.9202	3.1586	3.5772	3.9652	5.4504		2.2571	3.9429
H12	3.5674	4.5734	2.0940	5.0108	4.5686	1.1042	2.0525	3.0186	5.3948	6.1257	2.2571		2.2866
H13	3.8424	4.4702	3.1970	4.2613	3.3306	2.0230	1.0115	1.7946	5.4719	5.2921	3.9429	2.2866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.227	H1	N2	H9	120.887
H1	N3	C6	119.276	H1	N3	H11	128.586
N2	H1	N3	173.825	N2	C4	O5	125.590
N2	C4	H10	114.783	N3	C6	N7	123.174
N3	C6	H12	121.998	C4	N2	H9	117.885
C4	O5	H8	118.418	O5	C4	H10	119.627
O5	H8	N7	177.542	C6	N3	H11	112.137
C6	N7	H8	120.879	C6	N7	H13	119.126
N7	C6	H12	114.828	H8	N7	H13	119.995

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

using model chemistry: SVWN/cc-pVTZ

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	0.162
2	N	-0.185
3	N	-0.309
4	C	0.080
5	O	-0.328
6	C	0.003
7	N	-0.205
8	H	0.189
9	H	0.145
10	H	0.069
11	H	0.133
12	H	0.094
13	H	0.151

	x	y	z	Total
	1.421	1.522	0.021	2.082
CHELPG
AIM
ESP

	x	y	z
x	10.293	-0.474	-0.000
y	-0.474	9.939	-0.001
z	-0.000	-0.001	4.691

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/cc-pVTZ

States and conformations

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