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	hartrees
Energy at 0K	-171.101836
Energy at 298.15K	-171.108273
HF Energy	-171.101836
Nuclear repulsion energy	81.126396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3653	3641	12.40
2	A	3478	3466	2.60
3	A	3398	3386	1.79
4	A	3027	3017	22.51
5	A	2957	2947	47.60
6	A	1622	1617	23.22
7	A	1461	1456	0.10
8	A	1373	1368	25.26
9	A	1345	1340	2.24
10	A	1319	1314	4.43
11	A	1116	1113	27.55
12	A	1048	1044	30.09
13	A	884	881	240.99
14	A	880	877	1.32
15	A	757	755	152.08
16	A	456	454	41.11
17	A	390	389	75.61
18	A	272	271	66.26

Atom	x (Å)	y (Å)	z (Å)
N1	1.243	-0.164	-0.019
C2	-0.020	0.539	0.048
O3	-1.227	-0.264	-0.119
H4	1.323	-0.711	-0.876
H5	1.387	-0.786	0.776
H6	-0.062	1.083	1.001
H7	-0.070	1.257	-0.777
H8	-1.343	-0.813	0.676

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4474	2.4735	1.0200	1.0197	2.0735	2.0781	2.7550
C2	1.4474		1.4587	2.0544	2.0657	1.0986	1.0943	1.9927
O3	2.4735	1.4587		2.6967	2.8115	2.1039	2.0204	0.9730
H4	1.0200	2.0544	2.6967		1.6554	2.9430	2.4131	3.0865
H5	1.0197	2.0657	2.8115	1.6554		2.3758	2.9511	2.7319
H6	2.0735	1.0986	2.1039	2.9430	2.3758		1.7864	2.3108
H7	2.0781	1.0943	2.0204	2.4131	2.9511	1.7864		2.8305
H8	2.7550	1.9927	0.9730	3.0865	2.7319	2.3108	2.8305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.673	N1	C2	H6	108.286
N1	C2	H7	108.903	C2	N1	H4	111.563
C2	N1	H5	112.563	C2	O3	H8	108.403
O3	C2	H6	109.916	O3	C2	H7	103.713
H4	N1	H5	108.508	H6	C2	H7	109.106

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: BLYP/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	-0.336
2	C	0.024
3	O	-0.461
4	H	0.058
5	H	0.055
6	H	0.248
7	H	0.293
8	H	0.120

	x	y	z	Total
	0.481	-0.883	1.235	1.592
CHELPG
AIM
ESP

	x	y	z
x	5.750	0.084	-0.095
y	0.084	4.891	-0.042
z	-0.095	-0.042	4.519

<r²>	51.358
(<r²>)^1/2	7.166

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)