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	hartrees
Energy at 0K	-318.169066
Energy at 298.15K	-318.178126
Nuclear repulsion energy	73.058164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3944	3589	115.70
2	A'	3917	3565	104.48
3	A'	3772	3433	10.22
4	A'	3721	3386	389.42
5	A'	3619	3293	389.55
6	A'	3228	2938	57.29
7	A'	3154	2871	113.20
8	A'	1917	1745	773.32
9	A'	1851	1684	197.36
10	A'	1800	1638	25.89
11	A'	1780	1620	15.64
12	A'	1556	1416	57.30
13	A'	1546	1407	26.36
14	A'	1452	1321	72.44
15	A'	1419	1292	148.78
16	A'	1236	1125	116.91
17	A'	1189	1082	1.83
18	A'	1182	1076	6.98
19	A'	668	608	16.65
20	A'	616	561	10.07
21	A'	177	161	59.09
22	A'	143	130	0.07
23	A'	137	124	3.60
24	A"	1193	1085	0.01
25	A"	1191	1083	0.27
26	A"	854	777	113.92
27	A"	852	776	22.59
28	A"	731	666	66.49
29	A"	472	429	120.56
30	A"	308	280	82.42
31	A"	150	137	10.82
32	A"	82	75	133.56
33	A"	33	30	9.30

Atom	x (Å)	y (Å)
H1	-0.051	-1.356
N2	-1.010	-1.652
N3	1.843	-0.446
C4	-1.995	-0.756
O5	-1.850	0.434
C6	1.972	0.811
N7	0.942	1.668
H8	0.000	1.337
H9	-1.224	-2.617
H10	-2.991	-1.199
H11	2.733	-0.896
H12	2.939	1.296
H13	1.109	2.641

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0039	2.1007	2.0344	2.5382	2.9642	3.1826	2.6938	1.7228	2.9444	2.8217	3.9967	4.1617
N2	1.0039		3.0972	1.3312	2.2490	3.8674	3.8511	3.1552	0.9890	2.0320	3.8188	4.9283	4.7873
N3	2.1007	3.0972		3.8499	3.7963	1.2641	2.2981	2.5647	3.7577	4.8920	0.9976	2.0586	3.1733
C4	2.0344	1.3312	3.8499		1.1990	4.2645	3.8075	2.8913	2.0147	1.0904	4.7299	5.3435	4.6010
O5	2.5382	2.2490	3.7963	1.1990		3.8400	3.0521	2.0584	3.1153	1.9924	4.7724	4.8661	3.6909
C6	2.9642	3.8674	1.2641	4.2645	3.8400		1.3395	2.0406	4.6870	5.3541	1.8696	1.0824	2.0229
N7	3.1826	3.8511	2.2981	3.8075	3.0521	1.3395		0.9982	4.8016	4.8667	3.1278	2.0317	0.9872
H8	2.6938	3.1552	2.5647	2.8913	2.0584	2.0406	0.9982		4.1399	3.9214	3.5298	2.9396	1.7114
H9	1.7228	0.9890	3.7577	2.0147	3.1153	4.6870	4.8016	4.1399		2.2658	4.3155	5.7140	5.7526
H10	2.9444	2.0320	4.8920	1.0904	1.9924	5.3541	4.8667	3.9214	2.2658		5.7321	6.4336	5.6171
H11	2.8217	3.8188	0.9976	4.7299	4.7724	1.8696	3.1278	3.5298	4.3155	5.7321		2.2019	3.8923
H12	3.9967	4.9283	2.0586	5.3435	4.8661	1.0824	2.0317	2.9396	5.7140	6.4336	2.2019		2.2715
H13	4.1617	4.7873	3.1733	4.6010	3.6909	2.0229	0.9872	1.7114	5.7526	5.6171	3.8923	2.2715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.551	H1	N2	H9	119.643
H1	N3	C6	121.505	H1	N3	H11	127.533
N2	H1	N3	171.482	N2	C4	O5	125.375
N2	C4	H10	113.720	N3	C6	N7	123.915
N3	C6	H12	122.455	C4	N2	H9	119.806
C4	O5	H8	122.949	O5	C4	H10	120.905
O5	H8	N7	173.321	C6	N3	H11	110.962
C6	N7	H8	120.903	C6	N7	H13	120.027
N7	C6	H12	113.630	H8	N7	H13	119.071

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

using model chemistry: HF_cp_opt/aug-cc-pVTZ

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	-0.592
4	C	0.000
5	O	0.000
6	C	-0.151
7	N	-0.274
8	H	0.183
9	H	0.000
10	H	0.000
11	H	0.153
12	H	0.584
13	H	0.099

	x	y	z	Total
	0.730	3.054	0.000	3.140
CHELPG
AIM
ESP

	x	y	z
x	4.344	-0.517	0.000
y	-0.517	5.822	0.000
z	0.000	0.000	3.369

<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/aug-cc-pVTZ

States and conformations

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