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	hartrees
Energy at 0K	-319.168957
Energy at 298.15K	-319.178362
HF Energy	-318.146198
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	228.814182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3528	83.70
2	A	3714	3520	80.47
3	A	3573	3387	8.44
4	A	3434	3255	579.11
5	A	3259	3090	613.83
6	A	3126	2963	70.52
7	A	3039	2881	156.72
8	A	1789	1696	531.02
9	A	1744	1654	100.13
10	A	1674	1587	6.18
11	A	1659	1573	8.00
12	A	1455	1379	19.93
13	A	1445	1370	23.44
14	A	1396	1323	28.63
15	A	1357	1286	96.07
16	A	1168	1107	70.30
17	A	1133	1074	12.72
18	A	1119	1060	5.21
19	A	1054	999	6.88
20	A	1048	994	2.39
21	A	847	803	123.82
22	A	808	766	21.45
23	A	759	719	173.24
24	A	638	605	10.26
25	A	589	558	5.73
26	A	488	462	35.70
27	A	482	457	205.13
28	A	214	203	67.83
29	A	187	177	1.89
30	A	158	150	2.30
31	A	145	138	9.49
32	A	134	127	50.77
33	A	51	48	18.62

Atom	x (Å)	y (Å)	z (Å)
H1	0.498	1.216	-0.000
N2	1.525	1.091	0.023
N3	-1.412	1.185	-0.013
C4	2.066	-0.134	-0.003
O5	1.438	-1.187	-0.041
C6	-2.067	0.079	-0.018
N7	-1.483	-1.132	0.068
H8	-0.465	-1.218	0.026
H9	2.126	1.898	0.051
H10	3.169	-0.137	0.016
H11	-2.037	1.981	-0.057
H12	-3.160	0.038	-0.067
H13	-2.039	-1.956	-0.069

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0351	1.9096	2.0694	2.5812	2.8058	3.0730	2.6179	1.7657	2.9949	2.6485	3.8432	4.0624
N2	1.0351		2.9382	1.3397	2.2810	3.7322	3.7409	3.0483	1.0061	2.0525	3.6726	4.8025	4.6900
N3	1.9096	2.9382		3.7190	3.7078	1.2854	2.3191	2.5828	3.6091	4.7679	1.0138	2.0915	3.2033
C4	2.0694	1.3397	3.7190		1.2263	4.1383	3.6873	2.7530	2.0335	1.1040	4.6165	5.2286	4.4912
O5	2.5812	2.2810	3.7078	1.2263		3.7271	2.9241	1.9044	3.1619	2.0258	4.7029	4.7583	3.5612
C6	2.8058	3.7322	1.2854	4.1383	3.7271		1.3470	2.0620	4.5709	5.2412	1.9027	1.0944	2.0359
N7	3.0730	3.7409	2.3191	3.6873	2.9241	1.3470		1.0230	4.7122	4.7583	3.1643	2.0486	1.0034
H8	2.6179	3.0483	2.5828	2.7530	1.9044	2.0620	1.0230		4.0522	3.7917	3.5657	2.9746	1.7411
H9	1.7657	1.0061	3.6091	2.0335	3.1619	4.5709	4.7122	4.0522		2.2869	4.1654	5.6045	5.6755
H10	2.9949	2.0525	4.7679	1.1040	2.0258	5.2412	4.7583	3.7917	2.2869		5.6215	6.3321	5.5176
H11	2.6485	3.6726	1.0138	4.6165	4.7029	1.9027	3.1643	3.5657	4.1654	5.6215		2.2441	3.9371
H12	3.8432	4.8025	2.0915	5.2286	4.7583	1.0944	2.0486	2.9746	5.6045	6.3321	2.2441		2.2873
H13	4.0624	4.6900	3.2033	4.4912	3.5612	2.0359	1.0034	1.7411	5.6755	5.5176	3.9371	2.2873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.706	H1	N2	H9	119.766
H1	N3	C6	121.615	H1	N3	H11	127.185
N2	H1	N3	172.052	N2	C4	O5	125.414
N2	C4	H10	113.918	N3	C6	N7	123.498
N3	C6	H12	122.799	C4	N2	H9	119.521
C4	O5	H8	121.609	O5	C4	H10	120.668
O5	H8	N7	174.227	C6	N3	H11	111.143
C6	N7	H8	120.301	C6	N7	H13	119.318
N7	C6	H12	113.684	H8	N7	H13	118.451

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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