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	hartrees
Energy at 0K	-319.865466
Energy at 298.15K	-319.874590
HF Energy	-319.865466
Nuclear repulsion energy	229.889672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3653	3602	69.64
2	A	3600	3549	38.89
3	A	3480	3431	3.34
4	A	3222	3177	917.57
5	A	2984	2942	5.77
6	A	2958	2917	968.26
7	A	2870	2830	321.99
8	A	1732	1707	521.62
9	A	1692	1669	81.95
10	A	1631	1608	1.51
11	A	1609	1587	0.66
12	A	1397	1377	30.29
13	A	1391	1371	14.87
14	A	1342	1323	31.55
15	A	1319	1301	81.51
16	A	1138	1122	70.90
17	A	1097	1082	1.10
18	A	1083	1068	6.51
19	A	1036	1022	15.18
20	A	1018	1004	0.01
21	A	891	878	31.48
22	A	791	779	1.40
23	A	728	718	116.41
24	A	640	631	9.28
25	A	582	573	6.69
26	A	496	489	76.49
27	A	331	327	48.06
28	A	238	234	91.64
29	A	182	180	1.82
30	A	162	160	0.27
31	A	147	145	10.57
32	A	70	69	87.17
33	A	36	35	8.34

Atom	x (Å)	y (Å)	z (Å)
H1	0.414	1.206	0.000
N2	1.452	1.110	-0.001
N3	-1.430	1.176	0.001
C4	2.044	-0.095	-0.000
O5	1.466	-1.183	0.001
C6	-2.048	0.041	-0.000
N7	-1.413	-1.146	-0.001
H8	-0.386	-1.199	-0.000
H9	2.030	1.935	-0.002
H10	3.153	-0.044	-0.001
H11	-2.092	1.947	0.001
H12	-3.143	-0.042	-0.001
H13	-1.948	-1.996	-0.001

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0428	1.8438	2.0856	2.6107	2.7233	2.9783	2.5349	1.7730	3.0106	2.6126	3.7697	3.9787
N2	1.0428		2.8827	1.3421	2.2933	3.6596	3.6466	2.9516	1.0076	2.0549	3.6412	4.7377	4.6050
N3	1.8438	2.8827		3.6990	3.7352	1.2924	2.3229	2.5947	3.5419	4.7421	1.0156	2.1026	3.2143
C4	2.0856	1.3421	3.6990		1.2328	4.0943	3.6131	2.6695	2.0301	1.1099	4.6120	5.1876	4.4215
O5	2.6107	2.2933	3.7352	1.2328		3.7210	2.8784	1.8519	3.1694	2.0360	4.7383	4.7481	3.5088
C6	2.7233	3.6596	1.2924	4.0943	3.7210		1.3472	2.0738	4.4962	5.2014	1.9057	1.0985	2.0398
N7	2.9783	3.6466	2.3229	3.6131	2.8784	1.3472		1.0277	4.6204	4.6966	3.1668	2.0530	1.0040
H8	2.5349	2.9516	2.5947	2.6695	1.8519	2.0738	1.0277		3.9577	3.7229	3.5785	2.9900	1.7531
H9	1.7730	1.0076	3.5419	2.0301	3.1694	4.4962	4.6204	3.9577		2.2754	4.1215	5.5383	5.5926
H10	3.0106	2.0549	4.7421	1.1099	2.0360	5.2014	4.6966	3.7229	2.2754		5.6094	6.2961	5.4614
H11	2.6126	3.6412	1.0156	4.6120	4.7383	1.9057	3.1668	3.5785	4.1215	5.6094		2.2498	3.9452
H12	3.7697	4.7377	2.1026	5.1876	4.7481	1.0985	2.0530	2.9900	5.5383	6.2961	2.2498		2.2905
H13	3.9787	4.6050	3.2143	4.4215	3.5088	2.0398	1.0040	1.7531	5.5926	5.4614	3.9452	2.2905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.757	H1	N2	H9	119.276
H1	N3	C6	120.664	H1	N3	H11	127.944
N2	H1	N3	172.476	N2	C4	O5	125.819
N2	C4	H10	112.895	N3	C6	N7	123.681
N3	C6	H12	123.225	C4	N2	H9	119.966
C4	O5	H8	120.367	O5	C4	H10	121.286
O5	H8	N7	175.285	C6	N3	H11	111.295
C6	N7	H8	119.810	C6	N7	H13	118.987
N7	C6	H12	113.072	H8	N7	H13	117.446

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

using model chemistry: B97D3/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	0.175
2	N	-0.176
3	N	-0.322
4	C	0.146
5	O	-0.366
6	C	0.039
7	N	-0.194
8	H	0.199
9	H	0.133
10	H	0.043
11	H	0.117
12	H	0.066
13	H	0.140

	x	y	z	Total
	-1.321	1.426	-0.004	1.943
CHELPG
AIM
ESP

	x	y	z
x	9.926	0.500	-0.001
y	0.500	10.062	0.000
z	-0.001	0.000	4.705

<r²>	216.378
(<r²>)^1/2	14.710

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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