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	hartrees
Energy at 0K	-320.059279
Energy at 298.15K	-320.068555
Nuclear repulsion energy	72.247512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3706	3595	92.28
2	A	3664	3554	63.53
3	A	3544	3437	8.22
4	A	3352	3252	736.86
5	A	3149	3054	732.86
6	A	3053	2961	94.47
7	A	2956	2867	167.59
8	A	1764	1711	622.65
9	A	1717	1666	116.18
10	A	1660	1610	4.40
11	A	1640	1590	2.13
12	A	1430	1387	39.66
13	A	1424	1382	15.31
14	A	1364	1323	44.61
15	A	1341	1301	103.37
16	A	1155	1121	82.68
17	A	1115	1082	1.15
18	A	1104	1071	2.79
19	A	1066	1034	8.35
20	A	1058	1026	0.22
21	A	887	861	50.66
22	A	796	772	2.31
23	A	749	726	122.17
24	A	642	623	10.28
25	A	587	569	7.63
26	A	504	489	87.99
27	A	361	350	69.17
28	A	215	209	81.42
29	A	167	162	1.49
30	A	166	161	2.65
31	A	155	150	0.82
32	A	119	115	93.74
33	A	59	57	7.95

Atom	x (Å)	y (Å)	z (Å)
H1	-0.488	1.212	0.000
N2	-1.514	1.095	0.000
N3	1.429	1.181	0.000
C4	-2.069	-0.124	0.000
O5	-1.454	-1.182	-0.000
C6	2.071	0.068	-0.000
N7	1.468	-1.135	-0.000
H8	0.450	-1.213	-0.000
H9	-2.108	1.906	0.000
H10	-3.171	-0.111	0.000
H11	2.066	1.968	0.000
H12	3.162	0.014	-0.000
H13	2.021	-1.970	-0.000

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0330	1.9175	2.0695	2.5814	2.8030	3.0547	2.5999	1.7623	2.9918	2.6637	3.8413	4.0522
N2	1.0330		2.9448	1.3388	2.2777	3.7294	3.7235	3.0304	1.0048	2.0496	3.6853	4.7994	4.6791
N3	1.9175	2.9448		3.7334	3.7277	1.2849	2.3157	2.5867	3.6107	4.7785	1.0127	2.0887	3.2059
C4	2.0695	1.3388	3.7334		1.2241	4.1441	3.6785	2.7439	2.0295	1.1025	4.6339	5.2326	4.4876
O5	2.5814	2.2777	3.7277	1.2241		3.7397	2.9223	1.9036	3.1561	2.0238	4.7238	4.7684	3.5634
C6	2.8030	3.7294	1.2849	4.1441	3.7397		1.3449	2.0662	4.5652	5.2452	1.9005	1.0924	2.0382
N7	3.0547	3.7235	2.3157	3.6785	2.9223	1.3449		1.0215	4.6936	4.7507	3.1598	2.0470	1.0020
H8	2.5999	3.0304	2.5867	2.7439	1.9036	2.0662	1.0215		4.0332	3.7847	3.5685	2.9774	1.7445
H9	1.7623	1.0048	3.6107	2.0295	3.1561	4.5652	4.6936	4.0332		2.2800	4.1746	5.5990	5.6631
H10	2.9918	2.0496	4.7785	1.1025	2.0238	5.2452	4.7507	3.7847	2.2800		5.6351	6.3345	5.5152
H11	2.6637	3.6853	1.0127	4.6339	4.7238	1.9005	3.1598	3.5685	4.1746	5.6351		2.2400	3.9383
H12	3.8413	4.7994	2.0887	5.2326	4.7684	1.0924	2.0470	2.9774	5.5990	6.3345	2.2400		2.2889
H13	4.0522	4.6791	3.2059	4.4876	3.5634	2.0382	1.0020	1.7445	5.6631	5.5152	3.9383	2.2889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.972	H1	N2	H9	119.719
H1	N3	C6	120.885	H1	N3	H11	128.041
N2	H1	N3	172.572	N2	C4	O5	125.373
N2	C4	H10	113.833	N3	C6	N7	123.409
N3	C6	H12	122.744	C4	N2	H9	119.310
C4	O5	H8	121.094	O5	C4	H10	120.794
O5	H8	N7	174.650	C6	N3	H11	111.074
C6	N7	H8	121.046	C6	N7	H13	119.847
N7	C6	H12	113.847	H8	N7	H13	119.107

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

using model chemistry: B3LYP_cp_opt/6-311+G(3df,2pd)

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	-0.782
4	C	0.000
5	O	0.000
6	C	0.841
7	N	-0.542
8	H	0.145
9	H	0.000
10	H	0.000
11	H	0.136
12	H	0.068
13	H	0.133

	x	y	z	Total
	1.169	1.513	0.000	1.912
CHELPG
AIM
ESP

	x	y	z
x	4.629	0.150	0.000
y	0.150	6.518	0.000
z	0.000	0.000	3.537

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP_cp_opt/6-311+G(3df,2pd)

States and conformations

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