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	hartrees
Energy at 0K	-319.583265
Energy at 298.15K	-319.592475
Nuclear repulsion energy	71.507051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3640	3599	88.16
2	A'	3583	3542	47.42
3	A'	3478	3438	6.76
4	A'	3187	3151	975.77
5	A'	2993	2959	61.55
6	A'	2907	2874	90.23
7	A'	2889	2856	1240.59
8	A'	1726	1706	619.15
9	A'	1685	1666	87.36
10	A'	1613	1595	0.42
11	A'	1591	1572	1.07
12	A'	1386	1370	24.51
13	A'	1373	1357	15.86
14	A'	1332	1317	33.77
15	A'	1317	1302	84.20
16	A'	1128	1115	61.40
17	A'	1088	1075	1.48
18	A'	1072	1059	10.07
19	A'	631	624	7.78
20	A'	571	565	7.79
21	A'	228	226	98.76
22	A'	171	169	1.45
23	A'	160	158	0.22
24	A"	1024	1013	30.90
25	A"	1002	990	0.00
26	A"	896	886	39.44
27	A"	794	785	3.79
28	A"	725	717	157.66
29	A"	513	507	97.25
30	A"	356	352	66.26
31	A"	158	157	4.76
32	A"	111	109	106.46
33	A"	57	56	3.81

Atom	x (Å)	y (Å)
H1	-0.019	-1.285
N2	-1.049	-1.515
N3	1.710	-0.685
C4	-1.984	-0.543
O5	-1.752	0.681
C6	1.970	0.592
N7	1.005	1.540
H8	0.000	1.277
H9	-1.349	-2.486
H10	-3.033	-0.920
H11	2.577	-1.229
H12	2.999	0.998
H13	1.260	2.520

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0554	1.8299	2.1001	2.6203	2.7351	3.0043	2.5616	1.7922	3.0360	2.5972	3.7839	4.0138
N2	1.0554		2.8810	1.3486	2.3058	3.6820	3.6809	2.9824	1.0166	2.0714	3.6378	4.7644	4.6487
N3	1.8299	2.8810		3.6964	3.7214	1.3036	2.3341	2.6026	3.5496	4.7488	1.0239	2.1200	3.2367
C4	2.1001	1.3486	3.6964		1.2459	4.1139	3.6425	2.6919	2.0445	1.1150	4.6126	5.2153	4.4609
O5	2.6203	2.3058	3.7214	1.2459		3.7231	2.8868	1.8500	3.1930	2.0507	4.7317	4.7608	3.5281
C6	2.7351	3.6820	1.3036	4.1139	3.7231		1.3531	2.0861	4.5271	5.2270	1.9195	1.1055	2.0548
N7	3.0043	3.6809	2.3341	3.6425	2.8868	1.3531		1.0385	4.6635	4.7278	3.1843	2.0664	1.0128
H8	2.5616	2.9824	2.6026	2.6919	1.8500	2.0861	1.0385		3.9976	3.7449	3.5948	3.0117	1.7697
H9	1.7922	1.0166	3.5496	2.0445	3.1930	4.5271	4.6635	3.9976		2.3001	4.1228	5.5715	5.6451
H10	3.0360	2.0714	4.7488	1.1150	2.0507	5.2270	4.7278	3.7449	2.3001		5.6191	6.3293	5.5008
H11	2.5972	3.6378	1.0239	4.6126	4.7317	1.9195	3.1843	3.5948	4.1228	5.6191		2.2664	3.9739
H12	3.7839	4.7644	2.1200	5.2153	4.7608	1.1055	2.0664	3.0117	5.5715	6.3293	2.2664		2.3111
H13	4.0138	4.6487	3.2367	4.4609	3.5281	2.0548	1.0128	1.7697	5.6451	5.5008	3.9739	2.3111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.274	H1	N2	H9	119.757
H1	N3	C6	120.652	H1	N3	H11	128.804
N2	H1	N3	173.481	N2	C4	O5	125.383
N2	C4	H10	114.116	N3	C6	N7	122.926
N3	C6	H12	123.072	C4	N2	H9	118.970
C4	O5	H8	119.523	O5	C4	H10	120.501
O5	H8	N7	175.883	C6	N3	H11	110.544
C6	N7	H8	120.878	C6	N7	H13	119.882
N7	C6	H12	114.002	H8	N7	H13	119.240

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

using model chemistry: PBEPBE_cp_opt/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	0.000
2	N	0.000
3	N	-0.527
4	C	0.000
5	O	0.000
6	C	-0.017
7	N	-0.462
8	H	0.320
9	H	0.000
10	H	0.000
11	H	0.256
12	H	0.128
13	H	0.302

	x	y	z	Total
	1.899	-1.059	0.000	2.174
CHELPG
AIM
ESP

	x	y	z
x	4.603	-0.371	0.000
y	-0.371	6.511	0.000
z	0.000	0.000	3.228

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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