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	hartrees
Energy at 0K	-169.929070
Energy at 298.15K	-169.935589
HF Energy	-169.929070
Nuclear repulsion energy	81.061765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3606	3461	2.15
2	A	3525	3383	1.69
3	A	3497	3357	0.37
4	A	3149	3022	28.79
5	A	3046	2924	69.23
6	A	1730	1660	28.39
7	A	1548	1486	0.93
8	A	1435	1378	21.09
9	A	1414	1357	0.86
10	A	1381	1326	6.86
11	A	1178	1131	29.89
12	A	1120	1075	40.60
13	A	961	922	175.62
14	A	903	866	6.63
15	A	640	615	239.74
16	A	452	434	68.49
17	A	434	417	160.21
18	A	323	310	98.48

Atom	x (Å)	y (Å)	z (Å)
N1	1.229	-0.171	-0.026
C2	-0.021	0.533	0.052
O3	-1.241	-0.254	-0.112
H4	1.376	-0.669	-0.901
H5	1.467	-0.738	0.786
H6	-0.032	1.087	1.001
H7	-0.075	1.252	-0.767
H8	-1.280	-0.895	0.645

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4367	2.4726	1.0181	1.0182	2.0556	2.0677	2.6954
C2	1.4367		1.4613	2.0752	2.0902	1.0988	1.0915	1.9938
O3	2.4726	1.4613		2.7644	2.8937	2.1217	2.0145	0.9927
H4	1.0181	2.0752	2.7644		1.6908	2.9469	2.4113	3.0810
H5	1.0182	2.0902	2.8937	1.6908		2.3713	2.9582	2.7546
H6	2.0556	1.0988	2.1217	2.9469	2.3713		1.7768	2.3691
H7	2.0677	1.0915	2.0145	2.4113	2.9582	1.7768		2.8384
H8	2.6954	1.9938	0.9927	3.0810	2.7546	2.3691	2.8384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.122	N1	C2	H6	107.589
N1	C2	H7	108.973	C2	N1	H4	114.341
C2	N1	H5	115.684	C2	O3	H8	107.120
O3	C2	H6	111.150	O3	C2	H7	103.252
H4	N1	H5	112.273	H6	C2	H7	108.428

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/3-21G*

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	N	-0.732
2	C	-0.065
3	O	-0.570
4	H	0.299
5	H	0.287
6	H	0.207
7	H	0.245
8	H	0.329

	x	y	z	Total
	0.836	-1.342	1.351	2.080
CHELPG
AIM
ESP

	x	y	z
x	3.067	-0.103	-0.075
y	-0.103	2.728	-0.267
z	-0.075	-0.267	2.965

<r²>	50.692
(<r²>)^1/2	7.120

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)