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	hartrees
Energy at 0K	-61.043255
Energy at 298.15K	-61.053127
Nuclear repulsion energy	129.455153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3601	75.19
2	A	3710	3553	40.77
3	A	3567	3416	7.58
4	A	3296	3156	784.35
5	A	3103	2971	75.28
6	A	3051	2922	157.93
7	A	2825	2705	1340.21
8	A	1775	1700	141.11
9	A	1745	1671	549.36
10	A	1671	1600	36.24
11	A	1632	1562	33.18
12	A	1407	1347	45.59
13	A	1398	1338	43.14
14	A	1375	1317	34.56
15	A	1356	1298	88.94
16	A	1156	1107	274.10
17	A	1147	1099	66.26
18	A	1127	1079	3.94
19	A	1107	1060	15.49
20	A	1070	1024	8.18
21	A	1014	971	17.43
22	A	956	915	149.95
23	A	760	728	162.78
24	A	639	612	11.29
25	A	617	591	111.91
26	A	577	553	8.99
27	A	508	487	69.60
28	A	255	244	101.81
29	A	238	227	0.53
30	A	189	181	1.60
31	A	174	167	82.65
32	A	164	157	3.68
33	A	76	73	20.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.415	1.205	-0.005
N2	-1.473	1.103	-0.001
N3	1.325	1.208	-0.001
C4	-2.034	-0.135	0.002
O5	-1.377	-1.223	-0.001
C6	2.030	0.093	0.002
N7	1.458	-1.147	-0.002
H8	0.428	-1.247	-0.007
H9	-2.070	1.923	0.002
H10	-3.142	-0.157	0.008
H11	1.905	2.052	0.001
H12	3.132	0.088	0.008
H13	2.040	-1.974	0.004

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0627	1.7400	2.1018	2.6115	2.6866	3.0075	2.5934	1.8034	3.0483	2.4703	3.7196	4.0167
N2	1.0627		2.7998	1.3596	2.3281	3.6460	3.6958	3.0231	1.0136	2.0916	3.5091	4.7163	4.6701
N3	1.7400	2.7998		3.6176	3.6344	1.3197	2.3591	2.6141	3.4690	4.6708	1.0244	2.1267	3.2612
C4	2.1018	1.3596	3.6176		1.2709	4.0708	3.6365	2.7018	2.0580	1.1080	4.5060	5.1717	4.4699
O5	2.6115	2.3281	3.6344	1.2709		3.6523	2.8366	1.8052	3.2208	2.0616	4.6367	4.6964	3.4986
C6	2.6866	3.6460	1.3197	4.0708	3.6523		1.3654	2.0887	4.4898	5.1782	1.9633	1.1025	2.0665
N7	3.0075	3.6958	2.3591	3.6365	2.8366	1.3654		1.0355	4.6769	4.7059	3.2303	2.0806	1.0106
H8	2.5934	3.0231	2.6141	2.7018	1.8052	2.0887	1.0355		4.0358	3.7326	3.6151	3.0165	1.7682
H9	1.8034	1.0136	3.4690	2.0580	3.2208	4.4898	4.6769	4.0358		2.3402	3.9772	5.5164	5.6632
H10	3.0483	2.0916	4.6708	1.1080	2.0616	5.1782	4.7059	3.7326	2.3402		5.5098	6.2795	5.4911
H11	2.4703	3.5091	1.0244	4.5060	4.6367	1.9633	3.2303	3.6151	3.9772	5.5098		2.3159	4.0281
H12	3.7196	4.7163	2.1267	5.1717	4.6964	1.1025	2.0806	3.0165	5.5164	6.2795	2.3159		2.3335
H13	4.0167	4.6701	3.2612	4.4699	3.4986	2.0665	1.0106	1.7682	5.6632	5.4911	4.0281	2.3335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	119.883	H1	N2	H9	120.565
H1	N3	C6	122.216	H1	N3	H11	124.617
N2	H1	N3	174.581	N2	C4	O5	124.478
N2	C4	H10	115.536	N3	C6	N7	122.941
N3	C6	H12	122.549	C4	N2	H9	119.552
C4	O5	H8	121.920	O5	C4	H10	119.985
O5	H8	N7	173.658	C6	N3	H11	113.167
C6	N7	H8	120.295	C6	N7	H13	120.128
N7	C6	H12	114.510	H8	N7	H13	119.577

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

using model chemistry: B1B95/CEP-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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Number	Element	Mulliken
1	H	0.396
2	N	-0.353
3	N	-0.266
4	C	-0.272
5	O	-0.243
6	C	-0.439
7	N	-0.366
8	H	0.366
9	H	0.284
10	H	0.172
11	H	0.227
12	H	0.199
13	H	0.294

	x	y	z	Total
	1.690	2.155	0.025	2.739
CHELPG
AIM
ESP

	x	y	z
x	7.978	-0.597	0.001
y	-0.597	9.305	-0.001
z	0.001	-0.001	3.303

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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