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	hartrees
Energy at 0K	-319.583274
Energy at 298.15K	-319.592481
Nuclear repulsion energy	71.506842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3599	87.99
2	A'	3583	3543	47.43
3	A'	3479	3439	6.75
4	A'	3187	3151	976.48
5	A'	2994	2960	61.54
6	A'	2908	2874	98.47
7	A'	2890	2857	1231.14
8	A'	1726	1706	619.28
9	A'	1685	1666	87.15
10	A'	1613	1595	0.40
11	A'	1591	1572	1.06
12	A'	1386	1370	24.99
13	A'	1373	1357	15.86
14	A'	1332	1317	33.84
15	A'	1316	1301	83.96
16	A'	1128	1116	61.64
17	A'	1087	1075	1.46
18	A'	1072	1059	9.96
19	A'	631	624	7.77
20	A'	571	565	7.74
21	A'	229	226	98.79
22	A'	171	169	1.39
23	A'	160	158	0.26
24	A"	1024	1012	30.58
25	A"	1002	991	0.00
26	A"	895	885	39.57
27	A"	794	785	3.70
28	A"	726	718	157.48
29	A"	513	507	97.13
30	A"	355	351	65.27
31	A"	158	156	4.95
32	A"	109	108	106.87
33	A"	57	56	3.93

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	-1.751	0.681
C6	1.970	0.592
N7	1.005	1.540
H8	0.000	1.277
H9	-1.350	-2.486
H10	-3.033	-0.919
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		1.0553	1.8302	2.1000	2.6203	2.7355	3.0048	2.5621	1.7923	3.0359	2.5974	3.7843	4.0143
N2	1.0553		2.8812	1.3486	2.3058	3.6822	3.6812	2.9827	1.0166	2.0714	3.6380	4.7647	4.6490
N3	1.8302	2.8812		3.6963	3.7210	1.3037	2.3341	2.6026	3.5501	4.7488	1.0239	2.1200	3.2367
C4	2.1000	1.3486	3.6963		1.2459	4.1137	3.6424	2.6918	2.0445	1.1150	4.6125	5.2152	4.4609
O5	2.6203	2.3058	3.7210	1.2459		3.7226	2.8864	1.8497	3.1930	2.0507	4.7314	4.7604	3.5279
C6	2.7355	3.6822	1.3037	4.1137	3.7226		1.3531	2.0861	4.5275	5.2269	1.9195	1.1055	2.0548
N7	3.0048	3.6812	2.3341	3.6424	2.8864	1.3531		1.0385	4.6639	4.7277	3.1843	2.0664	1.0128
H8	2.5621	2.9827	2.6026	2.6918	1.8497	2.0861	1.0385		3.9979	3.7448	3.5948	3.0117	1.7698
H9	1.7923	1.0166	3.5501	2.0445	3.1930	4.5275	4.6639	3.9979		2.3000	4.1233	5.5720	5.6454
H10	3.0359	2.0714	4.7488	1.1150	2.0507	5.2269	4.7277	3.7448	2.3000		5.6191	6.3293	5.5007
H11	2.5974	3.6380	1.0239	4.6125	4.7314	1.9195	3.1843	3.5948	4.1233	5.6191		2.2664	3.9738
H12	3.7843	4.7647	2.1200	5.2152	4.7604	1.1055	2.0664	3.0117	5.5720	6.3293	2.2664		2.3111
H13	4.0143	4.6490	3.2367	4.4609	3.5279	2.0548	1.0128	1.7698	5.6454	5.5007	3.9738	2.3111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	121.271	H1	N2	H9	119.763
H1	N3	C6	120.662	H1	N3	H11	128.796
N2	H1	N3	173.456	N2	C4	O5	125.384
N2	C4	H10	114.116	N3	C6	N7	122.928
N3	C6	H12	123.072	C4	N2	H9	118.967
C4	O5	H8	119.544	O5	C4	H10	120.501
O5	H8	N7	175.877	C6	N3	H11	110.542
C6	N7	H8	120.878	C6	N7	H13	119.878
N7	C6	H12	114.000	H8	N7	H13	119.244

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

using model chemistry: PBEPBEultrafine_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	-0.016
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
	1.896	-1.060	0.000	2.172
CHELPG
AIM
ESP

	x	y	z
x	4.603	-0.372	0.000
y	-0.372	6.510	0.000
z	0.000	0.000	3.227

<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/6-31+G**

States and conformations

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