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	hartrees
Energy at 0K	-169.928931
Energy at 298.15K	-169.932602
HF Energy	-169.928931
Nuclear repulsion energy	70.647371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3598	3586	28.86
2	A'	3464	3452	19.43
3	A'	2847	2837	104.84
4	A'	1707	1701	388.59
5	A'	1571	1566	44.88
6	A'	1372	1367	6.84
7	A'	1217	1213	99.85
8	A'	1014	1010	5.52
9	A'	549	547	9.17
10	A"	993	989	4.36
11	A"	628	626	10.88
12	A"	233	232	187.57

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.209	0.234
N3	-0.947	-0.566
H4	-0.453	1.438
H5	-0.657	-1.538
H6	-1.935	-0.347

	C1	O2	N3	H4	H5	H6
C1		1.2235	1.3690	1.1114	2.0682	2.0822
O2	1.2235		2.2994	2.0519	2.5738	3.1969
N3	1.3690	2.2994		2.0636	1.0144	1.0121
H4	1.1114	2.0519	2.0636		2.9829	2.3193
H5	2.0682	2.5738	1.0144	2.9829		1.7470
H6	2.0822	3.1969	1.0121	2.3193	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.662	C1	N3	H6	121.238
O2	C1	N3	124.894	O2	C1	H4	122.921
N3	C1	H4	112.184	H5	N3	H6	119.100

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: BLYP/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	C	0.036
2	O	-0.510
3	N	-0.093
4	H	0.406
5	H	0.092
6	H	0.069

	x	y	z	Total
	-3.801	-0.703	0.000	3.865
CHELPG
AIM
ESP

	x	y	z
x	5.741	0.358	0.000
y	0.358	4.654	0.000
z	0.000	0.000	3.169

<r²>	41.836
(<r²>)^1/2	6.468

All results from a given calculation for CHONH2 (formamide)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHONH₂ (formamide)