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	hartrees
Energy at 0K	-171.017301
Energy at 298.15K	-171.023826
HF Energy	-170.811532
Nuclear repulsion energy	82.224507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3853	25.46
2	A	3625	3625	6.45
3	A	3535	3535	2.30
4	A	3136	3136	22.37
5	A	3060	3060	46.80
6	A	1672	1672	29.67
7	A	1524	1524	0.09
8	A	1431	1431	29.78
9	A	1395	1395	1.09
10	A	1372	1372	7.25
11	A	1163	1163	38.93
12	A	1103	1103	30.13
13	A	998	998	234.90
14	A	915	915	2.76
15	A	798	798	150.18
16	A	478	478	46.50
17	A	392	392	83.00
18	A	272	272	76.71

Atom	x (Å)	y (Å)	z (Å)
N1	1.225	-0.160	-0.020
C2	-0.029	0.535	0.048
O3	-1.203	-0.263	-0.116
H4	1.301	-0.702	-0.870
H5	1.368	-0.777	0.768
H6	-0.070	1.075	0.995
H7	-0.077	1.254	-0.766
H8	-1.301	-0.833	0.651

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4353	2.4312	1.0113	1.0110	2.0568	2.0618	2.6979
C2	1.4353		1.4288	2.0355	2.0477	1.0911	1.0865	1.9628
O3	2.4312	1.4288		2.6517	2.7664	2.0757	1.9977	0.9603
H4	1.0113	2.0355	2.6517		1.6418	2.9183	2.3950	3.0170
H5	1.0110	2.0477	2.7664	1.6418		2.3553	2.9269	2.6715
H6	2.0568	1.0911	2.0757	2.9183	2.3553		1.7700	2.2964
H7	2.0618	1.0865	1.9977	2.3950	2.9269	1.7700		2.8034
H8	2.6979	1.9628	0.9603	3.0170	2.6715	2.2964	2.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.180	N1	C2	H6	108.229
N1	C2	H7	108.901	C2	N1	H4	111.427
C2	N1	H5	112.509	C2	O3	H8	108.899
O3	C2	H6	110.202	O3	C2	H7	104.342
H4	N1	H5	108.554	H6	C2	H7	108.746

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	-0.816
2	C	0.576
3	O	-0.605
4	H	0.200
5	H	0.193
6	H	0.125
7	H	0.125
8	H	0.202

	x	y	z	Total
	0.404	-0.975	1.272	1.653
CHELPG
AIM
ESP

	x	y	z
x	4.967	0.051	-0.055
y	0.051	4.339	-0.041
z	-0.055	-0.041	4.028

<r²>	50.055
(<r²>)^1/2	7.075

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)