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	hartrees
Energy at 0K	-170.990920
Energy at 298.15K	-170.997458
HF Energy	-170.990920
Nuclear repulsion energy	81.741860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3729	6.47
2	A	3511	3511	0.24
3	A	3423	3423	1.00
4	A	3037	3037	35.21
5	A	2950	2950	71.12
6	A	1643	1643	16.30
7	A	1471	1471	0.15
8	A	1402	1402	38.96
9	A	1365	1365	1.31
10	A	1354	1354	1.64
11	A	1148	1148	14.02
12	A	1077	1077	20.13
13	A	962	962	227.28
14	A	897	897	3.91
15	A	822	822	138.84
16	A	467	467	43.75
17	A	406	406	95.47
18	A	297	297	46.64

Atom	x (Å)	y (Å)	z (Å)
N1	1.239	-0.157	-0.024
C2	-0.031	0.537	0.047
O3	-1.211	-0.263	-0.113
H4	1.258	-0.736	-0.862
H5	1.341	-0.791	0.768
H6	-0.057	1.093	1.000
H7	-0.080	1.261	-0.777
H8	-1.263	-0.844	0.658

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4487	2.4539	1.0194	1.0193	2.0712	2.0781	2.6825
C2	1.4487		1.4347	2.0270	2.0407	1.1038	1.0981	1.9488
O3	2.4539	1.4347		2.6234	2.7509	2.0999	2.0105	0.9667
H4	1.0194	2.0270	2.6234		1.6335	2.9230	2.4054	2.9461
H5	1.0193	2.0407	2.7509	1.6335		2.3574	2.9355	2.6068
H6	2.0712	1.1038	2.0999	2.9230	2.3574		1.7853	2.3071
H7	2.0781	1.0981	2.0105	2.4054	2.9355	1.7853		2.8086
H8	2.6825	1.9488	0.9667	2.9461	2.6068	2.3071	2.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.651	N1	C2	H6	107.713
N1	C2	H7	108.583	C2	N1	H4	109.187
C2	N1	H5	110.349	C2	O3	H8	106.870
O3	C2	H6	110.955	O3	C2	H7	104.290
H4	N1	H5	106.496	H6	C2	H7	108.349

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/6-31G(2df,p)

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	-0.491
2	C	-0.042
3	O	-0.411
4	H	0.231
5	H	0.221
6	H	0.100
7	H	0.124
8	H	0.268

	x	y	z	Total
	0.262	-1.145	1.140	1.637
CHELPG
AIM
ESP

	x	y	z
x	3.857	-0.115	-0.097
y	-0.115	3.621	-0.150
z	-0.097	-0.150	3.586

<r²>	49.805
(<r²>)^1/2	7.057

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)