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	hartrees
Energy at 0K	-319.084397
Energy at 298.15K	-319.093637
HF Energy	-318.061424
Nuclear repulsion energy	228.096625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3551	97.96
2	A	3807	3546	99.10
3	A	3649	3399	7.19
4	A	3565	3321	521.16
5	A	3430	3195	526.27
6	A	3182	2964	58.65
7	A	3114	2901	118.79
8	A	1844	1717	722.65
9	A	1792	1669	111.83
10	A	1724	1606	7.77
11	A	1711	1594	10.78
12	A	1485	1383	31.72
13	A	1475	1374	17.29
14	A	1407	1310	37.94
15	A	1382	1287	128.44
16	A	1191	1110	79.27
17	A	1151	1073	14.43
18	A	1141	1063	1.35
19	A	1091	1016	8.82
20	A	1078	1004	0.69
21	A	859	800	91.76
22	A	805	750	37.62
23	A	748	697	161.36
24	A	640	596	12.27
25	A	587	547	7.57
26	A	454	423	74.83
27	A	434	405	191.53
28	A	210	195	64.89
29	A	169	157	3.13
30	A	156	146	6.27
31	A	141	132	9.81
32	A	107	100	72.78
33	A	47	44	20.11

Atom	x (Å)	y (Å)	z (Å)
H1	0.569	1.217	0.032
N2	1.579	1.096	0.039
N3	-1.480	1.186	-0.019
C4	2.125	-0.134	-0.010
O5	1.499	-1.185	-0.062
C6	-2.127	0.075	-0.032
N7	-1.532	-1.137	0.107
H8	-0.523	-1.207	0.065
H9	2.170	1.904	0.083
H10	3.224	-0.126	0.001
H11	-2.113	1.971	-0.097
H12	-3.213	0.020	-0.121
H13	-2.059	-1.961	-0.107

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0178	2.0494	2.0614	2.5782	2.9281	3.1562	2.6595	1.7435	2.9760	2.7886	3.9691	4.1263
N2	1.0178		3.0609	1.3464	2.2849	3.8446	3.8302	3.1187	1.0021	2.0495	3.7970	4.9135	4.7544
N3	2.0494	3.0609		3.8388	3.8077	1.2857	2.3270	2.5789	3.7217	4.8833	1.0113	2.0909	3.2010
C4	2.0614	1.3464	3.8388		1.2247	4.2567	3.7938	2.8584	2.0403	1.0990	4.7326	5.3407	4.5667
O5	2.5782	2.2849	3.8077	1.2247		3.8386	3.0362	2.0263	3.1645	2.0248	4.7968	4.8636	3.6422
C6	2.9281	3.8446	1.2857	4.2567	3.8386		1.3572	2.0555	4.6716	5.3544	1.8967	1.0908	2.0384
N7	3.1562	3.8302	2.3270	3.7938	3.0362	1.3572		1.0121	4.7912	4.8631	3.1680	2.0531	1.0014
H8	2.6595	3.1187	2.5789	2.8584	2.0263	2.0555	1.0121		4.1153	3.9003	3.5572	2.9620	1.7196
H9	1.7435	1.0021	3.7217	2.0403	3.1645	4.6716	4.7912	4.1153		2.2887	4.2881	5.7067	5.7326
H10	2.9760	2.0495	4.8833	1.0990	2.0248	5.3544	4.8631	3.9003	2.2887		5.7351	6.4391	5.5935
H11	2.7886	3.7970	1.0113	4.7326	4.7968	1.8967	3.1680	3.5572	4.2881	5.7351		2.2390	3.9318
H12	3.9691	4.9135	2.0909	5.3407	4.8636	1.0908	2.0531	2.9620	5.7067	6.4391	2.2390		2.2922
H13	4.1263	4.7544	3.2010	4.5667	3.6422	2.0384	1.0014	1.7196	5.7326	5.5935	3.9318	2.2922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.737	H1	N2	H9	119.343
H1	N3	C6	121.091	H1	N3	H11	128.030
N2	H1	N3	172.206	N2	C4	O5	125.356
N2	C4	H10	113.500	N3	C6	N7	123.381
N3	C6	H12	123.033	C4	N2	H9	119.920
C4	O5	H8	121.112	O5	C4	H10	121.144
O5	H8	N7	175.235	C6	N3	H11	110.760
C6	N7	H8	119.639	C6	N7	H13	118.815
N7	C6	H12	113.552	H8	N7	H13	117.304

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

using model chemistry: MP3=FULL/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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All results from a given calculation for HCONH2CN2H4 (formamide aminomethanimine dimer)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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