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	hartrees
Energy at 0K	-170.960550
Energy at 298.15K	-170.967084
HF Energy	-170.960550
Nuclear repulsion energy	82.454115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3866	3717	25.42
2	A	3632	3492	6.17
3	A	3544	3408	2.34
4	A	3116	2996	22.70
5	A	3041	2924	49.78
6	A	1662	1598	29.21
7	A	1499	1442	0.25
8	A	1418	1363	33.27
9	A	1385	1332	1.40
10	A	1367	1314	5.66
11	A	1165	1120	46.06
12	A	1115	1072	27.63
13	A	1023	983	219.26
14	A	906	871	3.53
15	A	795	764	151.37
16	A	482	463	46.33
17	A	393	378	79.25
18	A	271	261	74.46

Atom	x (Å)	y (Å)	z (Å)
N1	1.221	-0.159	-0.019
C2	-0.030	0.530	0.048
O3	-1.198	-0.262	-0.117
H4	1.302	-0.695	-0.872
H5	1.364	-0.779	0.766
H6	-0.070	1.075	0.997
H7	-0.076	1.256	-0.764
H8	-1.298	-0.829	0.651

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4296	2.4227	1.0111	1.0108	2.0541	2.0585	2.6913
C2	1.4296		1.4205	2.0306	2.0427	1.0950	1.0903	1.9538
O3	2.4227	1.4205		2.6473	2.7582	2.0735	1.9961	0.9595
H4	1.0111	2.0306	2.6473		1.6415	2.9171	2.3913	3.0168
H5	1.0108	2.0427	2.7582	1.6415		2.3548	2.9249	2.6649
H6	2.0541	1.0950	2.0735	2.9171	2.3548		1.7704	2.2914
H7	2.0585	1.0903	1.9961	2.3913	2.9249	1.7704		2.8008
H8	2.6913	1.9538	0.9595	3.0168	2.6649	2.2914	2.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.430	N1	C2	H6	108.174
N1	C2	H7	108.803	C2	N1	H4	111.452
C2	N1	H5	112.523	C2	O3	H8	108.811
O3	C2	H6	110.372	O3	C2	H7	104.542
H4	N1	H5	108.559	H6	C2	H7	108.219

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBE1PBE/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	N	-0.373
2	C	-0.061
3	O	-0.453
4	H	0.085
5	H	0.076
6	H	0.274
7	H	0.319
8	H	0.134

	x	y	z	Total
	0.378	-1.004	1.236	1.636
CHELPG
AIM
ESP

	x	y	z
x	5.041	0.048	-0.067
y	0.048	4.496	-0.044
z	-0.067	-0.044	4.182

<r²>	49.672
(<r²>)^1/2	7.048

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)