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	hartrees
Energy at 0K	-169.900806
Energy at 298.15K	-169.904547
HF Energy	-169.900806
Nuclear repulsion energy	71.406266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3606	44.20
2	A'	3596	3471	34.99
3	A'	2946	2843	92.95
4	A'	1805	1742	430.73
5	A'	1614	1558	62.25
6	A'	1414	1365	5.03
7	A'	1274	1229	105.93
8	A'	1054	1018	3.55
9	A'	565	546	10.91
10	A"	1042	1005	2.75
11	A"	644	621	13.99
12	A"	253	244	201.36

Atom	x (Å)	y (Å)
C1	0.000	0.417
O2	1.194	0.238
N3	-0.934	-0.565
H4	-0.453	1.427
H5	-0.640	-1.527
H6	-1.915	-0.354

	C1	O2	N3	H4	H5	H6
C1		1.2070	1.3556	1.1062	2.0473	2.0650
O2	1.2070		2.2743	2.0309	2.5453	3.1649
N3	1.3556	2.2743		2.0487	1.0063	1.0034
H4	1.1062	2.0309	2.0487		2.9597	2.3042
H5	2.0473	2.5453	1.0063	2.9597		1.7326
H6	2.0650	3.1649	1.0034	2.3042	1.7326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.443	C1	N3	H6	121.453
O2	C1	N3	125.013	O2	C1	H4	122.735
N3	C1	H4	112.252	H5	N3	H6	119.104

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: B3PW91/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	0.077
2	O	-0.542
3	N	-0.122
4	H	0.413
5	H	0.100
6	H	0.073

	x	y	z	Total
	-3.889	-0.689	0.000	3.949
CHELPG
AIM
ESP

	x	y	z
x	5.196	0.320	0.000
y	0.320	4.222	0.000
z	0.000	0.000	2.952

<r²>	40.888
(<r²>)^1/2	6.394

All results from a given calculation for CHONH2 (formamide)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHONH₂ (formamide)