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	hartrees
Energy at 0K	-319.681499
Energy at 298.15K	-319.690754
Nuclear repulsion energy	71.799703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3627	3590	79.00
2	A'	3574	3538	44.10
3	A'	3470	3436	7.25
4	A'	3171	3139	976.87
5	A'	2977	2948	50.32
6	A'	2901	2872	779.42
7	A'	2868	2839	474.18
8	A'	1715	1698	577.85
9	A'	1671	1655	85.97
10	A'	1605	1589	0.55
11	A'	1585	1569	0.13
12	A'	1382	1369	22.18
13	A'	1371	1357	15.53
14	A'	1325	1312	31.88
15	A'	1313	1300	87.44
16	A'	1126	1115	61.30
17	A'	1087	1076	1.33
18	A'	1072	1061	10.24
19	A'	634	627	8.23
20	A'	573	567	6.85
21	A'	234	232	96.57
22	A'	176	174	1.73
23	A'	159	158	0.29
24	A"	1026	1016	20.18
25	A"	1007	997	0.00
26	A"	897	888	28.19
27	A"	799	791	4.26
28	A"	730	722	119.68
29	A"	511	506	79.18
30	A"	364	361	56.70
31	A"	160	158	4.53
32	A"	113	112	81.03
33	A"	58	58	7.87

Atom	x (Å)	y (Å)
H1	-0.025	-1.284
N2	-1.053	-1.508
N3	1.709	-0.684
C4	-1.978	-0.534
O5	-1.743	0.680
C6	1.964	0.586
N7	1.003	1.531
H8	0.000	1.272
H9	-1.359	-2.473
H10	-3.026	-0.909
H11	2.573	-1.228
H12	2.989	0.991
H13	1.261	2.507

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0514	1.8347	2.0916	2.6083	2.7305	2.9966	2.5557	1.7872	3.0241	2.5985	3.7763	4.0030
N2	1.0514		2.8815	1.3432	2.2934	3.6724	3.6685	2.9723	1.0131	2.0623	3.6359	4.7518	4.6338
N3	1.8347	2.8815		3.6899	3.7111	1.2962	2.3253	2.5975	3.5513	4.7402	1.0206	2.1084	3.2226
C4	2.0916	1.3432	3.6899		1.2364	4.0986	3.6263	2.6787	2.0356	1.1130	4.6033	5.1963	4.4433
O5	2.6083	2.2934	3.7111	1.2364		3.7081	2.8743	1.8406	3.1761	2.0422	4.7180	4.7424	3.5162
C6	2.7305	3.6724	1.2962	4.0986	3.7081		1.3480	2.0804	4.5173	5.2096	1.9137	1.1020	2.0452
N7	2.9966	3.6685	2.3253	3.6263	2.8743	1.3480		1.0355	4.6490	4.7101	3.1745	2.0591	1.0096
H8	2.5557	2.9723	2.5975	2.6787	1.8406	2.0804	1.0355		3.9843	3.7302	3.5872	3.0027	1.7653
H9	1.7872	1.0131	3.5513	2.0356	3.1761	4.5173	4.6490	3.9843		2.2862	4.1240	5.5594	5.6276
H10	3.0241	2.0623	4.7402	1.1130	2.0422	5.2096	4.7101	3.7302	2.2862		5.6078	6.3084	5.4819
H11	2.5985	3.6359	1.0206	4.6033	4.7180	1.9137	3.1745	3.5872	4.1240	5.6078		2.2573	3.9585
H12	3.7763	4.7518	2.1084	5.1963	4.7424	1.1020	2.0591	3.0027	5.5594	6.3084	2.2573		2.2993
H13	4.0030	4.6338	3.2226	4.4433	3.5162	2.0452	1.0096	1.7653	5.6276	5.4819	3.9585	2.2993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.252	H1	N2	H9	119.903
H1	N3	C6	120.432	H1	N3	H11	128.750
N2	H1	N3	173.239	N2	C4	O5	125.467
N2	C4	H10	113.876	N3	C6	N7	123.123
N3	C6	H12	122.877	C4	N2	H9	118.845
C4	O5	H8	119.757	O5	C4	H10	120.657
O5	H8	N7	175.713	C6	N3	H11	110.818
C6	N7	H8	121.019	C6	N7	H13	119.646
N7	C6	H12	114.000	H8	N7	H13	119.335

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

using model chemistry: PBEPBEultrafine_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	-0.784
4	C	0.000
5	O	0.000
6	C	0.898
7	N	-0.511
8	H	0.122
9	H	0.000
10	H	0.000
11	H	0.117
12	H	0.045
13	H	0.112

	x	y	z	Total
	1.689	-0.978	0.000	1.952
CHELPG
AIM
ESP

	x	y	z
x	5.040	-0.469	0.000
y	-0.469	6.721	0.000
z	0.000	0.000	3.668

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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