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	hartrees
Energy at 0K	-316.244397
Energy at 298.15K	-316.254452
Nuclear repulsion energy	72.567265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3873	3507	90.82
2	A'	3849	3486	72.23
3	A'	3662	3316	0.69
4	A'	3580	3242	555.77
5	A'	3346	3031	674.01
6	A'	3232	2927	87.57
7	A'	3189	2888	210.53
8	A'	1916	1735	381.43
9	A'	1883	1705	336.94
10	A'	1842	1668	12.80
11	A'	1813	1642	2.78
12	A'	1567	1419	48.92
13	A'	1553	1406	97.65
14	A'	1480	1340	41.71
15	A'	1437	1301	151.38
16	A'	1248	1130	100.64
17	A'	1214	1100	6.31
18	A'	1192	1080	56.45
19	A'	703	636	18.01
20	A'	635	575	7.98
21	A'	234	212	69.17
22	A'	177	161	1.22
23	A'	163	148	5.86
24	A"	1225	1109	4.43
25	A"	1222	1107	0.14
26	A"	1109	1004	509.68
27	A"	946	857	156.31
28	A"	859	778	126.04
29	A"	624	565	122.60
30	A"	492	445	94.03
31	A"	255	231	1.74
32	A"	183	166	82.66
33	A"	72	66	17.92

Atom	x (Å)	y (Å)
H1	0.000	1.311
N2	-0.982	1.600
N3	1.751	0.534
C4	-1.951	0.681
O5	-1.783	-0.533
C6	1.934	-0.724
N7	0.932	-1.625
H8	-0.032	-1.324
H9	-1.205	2.570
H10	-2.949	1.105
H11	2.603	1.073
H12	2.915	-1.178
H13	1.128	-2.600

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0235	1.9157	2.0500	2.5652	2.8079	3.0812	2.6352	1.7424	2.9565	2.6136	3.8333	4.0708
N2	1.0235		2.9334	1.3349	2.2779	3.7289	3.7505	3.0739	0.9956	2.0285	3.6233	4.7857	4.7001
N3	1.9157	2.9334		3.7047	3.6917	1.2717	2.3096	2.5750	3.5891	4.7347	1.0080	2.0702	3.1955
C4	2.0500	1.3349	3.7047		1.2255	4.1313	3.6923	2.7751	2.0306	1.0845	4.5704	5.2091	4.4997
O5	2.5652	2.2779	3.6917	1.2255		3.7223	2.9272	1.9216	3.1560	2.0101	4.6707	4.7427	3.5708
C6	2.8079	3.7289	1.2717	4.1313	3.7223		1.3475	2.0555	4.5503	5.2146	1.9177	1.0809	2.0416
N7	3.0812	3.7505	2.3096	3.6923	2.9272	1.3475		1.0105	4.7085	4.7456	3.1737	2.0331	0.9941
H8	2.6352	3.0739	2.5750	2.7751	1.9216	2.0555	1.0105		4.0665	3.7957	3.5619	2.9511	1.7249
H9	1.7424	0.9956	3.5891	2.0306	3.1560	4.5503	4.7085	4.0665		2.2780	4.0914	5.5696	5.6721
H10	2.9565	2.0285	4.7347	1.0845	2.0101	5.2146	4.7456	3.7957	2.2780		5.5521	6.2930	5.5092
H11	2.6136	3.6233	1.0080	4.5704	4.6707	1.9177	3.1737	3.5619	4.0914	5.5521		2.2722	3.9581
H12	3.8333	4.7857	2.0702	5.2091	4.7427	1.0809	2.0331	2.9511	5.5696	6.2930	2.2722		2.2842
H13	4.0708	4.7001	3.1955	4.4997	3.5708	2.0416	0.9941	1.7249	5.6721	5.5092	3.9581	2.2842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.166	H1	N2	H9	119.302
H1	N3	C6	122.216	H1	N3	H11	123.742
N2	H1	N3	172.427	N2	C4	O5	125.613
N2	C4	H10	113.545	N3	C6	N7	123.694
N3	C6	H12	123.070	C4	N2	H9	120.531
C4	O5	H8	122.168	O5	C4	H10	120.842
O5	H8	N7	173.067	C6	N3	H11	114.042
C6	N7	H8	120.650	C6	N7	H13	120.609
N7	C6	H12	113.236	H8	N7	H13	118.741

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

using model chemistry: HF_cp_opt/3-21G

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	-0.716
4	C	0.000
5	O	0.000
6	C	0.444
7	N	-0.908
8	H	0.361
9	H	0.000
10	H	0.000
11	H	0.273
12	H	0.202
13	H	0.343

	x	y	z	Total
	2.035	1.255	0.000	2.391
CHELPG
AIM
ESP

	x	y	z
x	3.021	0.512	0.000
y	0.512	4.729	0.000
z	0.000	0.000	0.947

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF_cp_opt/3-21G

States and conformations

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