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	hartrees
Energy at 0K	-319.766018
Energy at 298.15K	-319.775102
HF Energy	-319.766018
Nuclear repulsion energy	228.958462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3666	3603	85.68
2	A	3609	3546	46.19
3	A	3493	3433	5.58
4	A	3243	3187	890.30
5	A	3004	2952	31.44
6	A	2958	2907	923.87
7	A	2910	2860	421.89
8	A	1735	1705	586.88
9	A	1700	1671	119.48
10	A	1635	1607	4.18
11	A	1609	1581	2.31
12	A	1398	1374	33.23
13	A	1390	1367	17.77
14	A	1345	1322	34.85
15	A	1321	1299	86.96
16	A	1136	1116	69.93
17	A	1098	1079	1.48
18	A	1083	1064	5.24
19	A	1034	1016	28.62
20	A	1009	992	0.28
21	A	897	882	43.63
22	A	795	781	5.26
23	A	721	709	152.30
24	A	637	626	8.61
25	A	578	568	8.06
26	A	502	493	96.25
27	A	336	331	59.93
28	A	230	226	93.52
29	A	179	176	0.72
30	A	163	161	0.37
31	A	141	139	17.79
32	A	68	67	107.67
33	A	42	41	1.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.422	1.208	0.000
N2	1.465	1.109	-0.000
N3	-1.417	1.184	0.000
C4	2.054	-0.103	-0.000
O5	1.458	-1.192	0.000
C6	-2.057	0.052	-0.000
N7	-1.431	-1.147	-0.000
H8	-0.402	-1.208	0.000
H9	2.046	1.938	-0.001
H10	3.164	-0.065	-0.000
H11	-2.069	1.967	0.000
H12	-3.156	-0.018	-0.001
H13	-1.974	-1.997	-0.000

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0473	1.8389	2.0932	2.6148	2.7354	2.9973	2.5532	1.7799	3.0232	2.6040	3.7824	4.0016
N2	1.0473		2.8824	1.3477	2.3019	3.6770	3.6716	2.9761	1.0117	2.0657	3.6363	4.7564	4.6340
N3	1.8389	2.8824		3.7014	3.7299	1.3003	2.3310	2.5985	3.5434	4.7480	1.0194	2.1141	3.2290
C4	2.0932	1.3477	3.7014		1.2420	4.1138	3.6386	2.6934	2.0405	1.1110	4.6133	5.2109	4.4511
O5	2.6148	2.3019	3.7299	1.2420		3.7290	2.8902	1.8604	3.1849	2.0450	4.7355	4.7617	3.5253
C6	2.7354	3.6770	1.3003	4.1138	3.7290		1.3524	2.0802	4.5152	5.2225	1.9152	1.1015	2.0504
N7	2.9973	3.6716	2.3310	3.6386	2.8902	1.3524		1.0313	4.6484	4.7216	3.1789	2.0616	1.0080
H8	2.5532	2.9761	2.5985	2.6934	1.8604	2.0802	1.0313		3.9861	3.7452	3.5865	3.0006	1.7586
H9	1.7799	1.0117	3.5434	2.0405	3.1849	4.5152	4.6484	3.9861		2.2938	4.1146	5.5572	5.6248
H10	3.0232	2.0657	4.7480	1.1110	2.0450	5.2225	4.7216	3.7452	2.2938		5.6138	6.3207	5.4895
H11	2.6040	3.6363	1.0194	4.6133	4.7355	1.9152	3.1789	3.5865	4.1146	5.6138		2.2631	3.9650
H12	3.7824	4.7564	2.1141	5.2109	4.7617	1.1015	2.0616	3.0006	5.5572	6.3207	2.2631		2.3053
H13	4.0016	4.6340	3.2290	4.4511	3.5253	2.0504	1.0080	1.7586	5.6248	5.4895	3.9650	2.3053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.776	H1	N2	H9	119.150
H1	N3	C6	120.681	H1	N3	H11	127.827
N2	H1	N3	172.561	N2	C4	O5	125.564
N2	C4	H10	113.131	N3	C6	N7	123.585
N3	C6	H12	123.311	C4	N2	H9	120.073
C4	O5	H8	120.551	O5	C4	H10	121.304
O5	H8	N7	175.234	C6	N3	H11	111.390
C6	N7	H8	119.856	C6	N7	H13	119.160
N7	C6	H12	113.081	H8	N7	H13	117.323

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

using model chemistry: B97D3/6-31+G**

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	0.411
2	N	-0.508
3	N	-0.672
4	C	0.244
5	O	-0.535
6	C	0.115
7	N	-0.560
8	H	0.397
9	H	0.300
10	H	0.104
11	H	0.277
12	H	0.119
13	H	0.307

	x	y	z	Total
	-1.453	1.603	-0.002	2.163
CHELPG
AIM
ESP

	x	y	z
x	9.854	0.506	0.002
y	0.506	10.591	-0.001
z	0.002	-0.001	5.498

<r²>	218.025
(<r²>)^1/2	14.766

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

using model chemistry: B97D3/6-31+G**

States and conformations

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