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	hartrees
Energy at 0K	-170.945856
Energy at 298.15K	-170.952340
HF Energy	-170.945856
Nuclear repulsion energy	81.644028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3693	3668	9.76
2	A	3495	3471	0.89
3	A	3411	3388	0.93
4	A	3022	3001	26.91
5	A	2944	2924	58.67
6	A	1613	1602	21.75
7	A	1447	1437	0.06
8	A	1370	1361	30.65
9	A	1341	1332	2.02
10	A	1323	1314	1.88
11	A	1129	1121	25.12
12	A	1072	1065	22.29
13	A	948	941	224.89
14	A	880	874	3.76
15	A	787	781	156.76
16	A	462	459	44.08
17	A	399	396	86.85
18	A	274	272	59.27

Atom	x (Å)	y (Å)	z (Å)
N1	1.236	-0.159	-0.022
C2	-0.027	0.534	0.047
O3	-1.214	-0.262	-0.116
H4	1.285	-0.726	-0.870
H5	1.364	-0.785	0.774
H6	-0.057	1.088	1.001
H7	-0.076	1.259	-0.776
H8	-1.294	-0.831	0.668

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4420	2.4547	1.0213	1.0210	2.0676	2.0738	2.7072
C2	1.4420		1.4391	2.0366	2.0496	1.1034	1.0983	1.9632
O3	2.4547	1.4391		2.6514	2.7773	2.0998	2.0114	0.9716
H4	1.0213	2.0366	2.6514		1.6472	2.9313	2.4083	3.0040
H5	1.0210	2.0496	2.7773	1.6472		2.3622	2.9418	2.6603
H6	2.0676	1.1034	2.0998	2.9313	2.3622		1.7852	2.3075
H7	2.0738	1.0983	2.0114	2.4083	2.9418	1.7852		2.8172
H8	2.7072	1.9632	0.9716	3.0040	2.6603	2.3075	2.8172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.859	N1	C2	H6	107.904
N1	C2	H7	108.691	C2	N1	H4	110.381
C2	N1	H5	111.500	C2	O3	H8	107.463
O3	C2	H6	110.656	O3	C2	H7	104.066
H4	N1	H5	107.526	H6	C2	H7	108.349

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/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	-0.285
2	C	0.036
3	O	-0.314
4	H	0.129
5	H	0.118
6	H	0.058
7	H	0.086
8	H	0.172

	x	y	z	Total
	0.372	-1.070	1.195	1.647
CHELPG
AIM
ESP

	x	y	z
x	4.541	-0.065	-0.116
y	-0.065	4.098	-0.134
z	-0.116	-0.134	3.963

<r²>	50.293
(<r²>)^1/2	7.092

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)