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	hartrees
Energy at 0K	-319.034594
Energy at 298.15K	-319.043684
Nuclear repulsion energy	71.885566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3785	3560	114.87
2	A	3768	3544	102.89
3	A	3610	3396	8.95
4	A	3516	3307	522.77
5	A	3376	3176	553.46
6	A	3165	2977	64.55
7	A	3090	2907	134.36
8	A	1793	1687	623.35
9	A	1760	1656	93.96
10	A	1685	1585	6.15
11	A	1674	1574	9.31
12	A	1447	1361	46.76
13	A	1445	1360	0.61
14	A	1393	1310	36.56
15	A	1360	1279	101.82
16	A	1169	1100	84.18
17	A	1132	1064	1.43
18	A	1112	1046	0.71
19	A	1066	1003	13.75
20	A	1057	994	0.82
21	A	831	781	70.01
22	A	795	748	47.36
23	A	725	682	139.62
24	A	623	586	9.74
25	A	577	543	8.10
26	A	436	410	71.78
27	A	405	381	191.18
28	A	194	182	64.52
29	A	156	147	11.54
30	A	152	143	1.34
31	A	138	130	4.37
32	A	106	100	80.88
33	A	52	49	13.49

Atom	x (Å)	y (Å)	z (Å)
H1	0.551	1.218	0.032
N2	1.570	1.096	0.037
N3	-1.451	1.190	-0.018
C4	2.116	-0.135	-0.009
O5	1.478	-1.196	-0.065
C6	-2.119	0.079	-0.035
N7	-1.529	-1.133	0.114
H8	-0.514	-1.202	0.064
H9	2.169	1.902	0.093
H10	3.215	-0.134	0.007
H11	-2.093	1.974	-0.100
H12	-3.205	0.034	-0.130
H13	-2.059	-1.956	-0.113

	H1	N2	N3	C4	O5	C6	N7	H8	H9	H10	H11	H12	H13
H1		1.0258	2.0036	2.0686	2.5870	2.9035	3.1402	2.6433	1.7570	2.9870	2.7537	3.9416	4.1120
N2	1.0258		3.0233	1.3471	2.2959	3.8269	3.8180	3.1015	1.0056	2.0543	3.7694	4.8943	4.7441
N3	2.0036	3.0233		3.8057	3.7782	1.2965	2.3286	2.5703	3.6909	4.8506	1.0161	2.1034	3.2060
C4	2.0686	1.3471	3.8057		1.2399	4.2403	3.7813	2.8389	2.0398	1.0986	4.7088	5.3251	4.5564
O5	2.5870	2.2959	3.7782	1.2399		3.8157	3.0124	1.9954	3.1779	2.0370	4.7748	4.8417	3.6177
C6	2.9035	3.8269	1.2965	4.2403	3.8157		1.3563	2.0555	4.6605	5.3378	1.8961	1.0913	2.0374
N7	3.1402	3.8180	2.3286	3.7813	3.0124	1.3563		1.0187	4.7837	4.8488	3.1651	2.0569	1.0048
H8	2.6433	3.1015	2.5703	2.8389	1.9954	2.0555	1.0187		4.1019	3.8784	3.5501	2.9675	1.7289
H9	1.7570	1.0056	3.6909	2.0398	3.1779	4.6605	4.7837	4.1019		2.2911	4.2667	5.6932	5.7271
H10	2.9870	2.0543	4.8506	1.0986	2.0370	5.3378	4.8488	3.8784	2.2911		5.7123	6.4233	5.5808
H11	2.7537	3.7694	1.0161	4.7088	4.7748	1.8961	3.1651	3.5501	4.2667	5.7123		2.2359	3.9300
H12	3.9416	4.8943	2.1034	5.3251	4.8417	1.0913	2.0569	2.9675	5.6932	6.4233	2.2359		2.2965
H13	4.1120	4.7441	3.2060	4.5564	3.6177	2.0374	1.0048	1.7289	5.7271	5.5808	3.9300	2.2965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	120.729	H1	N2	H9	119.743
H1	N3	C6	121.771	H1	N3	H11	128.533
N2	H1	N3	172.312	N2	C4	O5	125.066
N2	C4	H10	113.881	N3	C6	N7	122.749
N3	C6	H12	123.279	C4	N2	H9	119.519
C4	O5	H8	120.892	O5	C4	H10	121.053
O5	H8	N7	175.913	C6	N3	H11	109.558
C6	N7	H8	119.197	C6	N7	H13	118.541
N7	C6	H12	113.932	H8	N7	H13	117.391

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

using model chemistry: MP2_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	-0.618
4	C	0.000
5	O	0.000
6	C	0.197
7	N	-0.617
8	H	0.341
9	H	0.000
10	H	0.000
11	H	0.254
12	H	0.132
13	H	0.311

	x	y	z	Total
	-1.096	1.930	-0.458	2.266
CHELPG
AIM
ESP

	x	y	z
x	4.124	0.322	0.079
y	0.322	6.121	-0.145
z	0.079	-0.145	3.105

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2_cp_opt/6-31+G**

States and conformations

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