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	hartrees
Energy at 0K	-171.085180
Energy at 298.15K	-171.091788
HF Energy	-171.085180
Nuclear repulsion energy	81.934484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3641	10.90
2	A	3534	3428	0.28
3	A	3455	3352	0.96
4	A	3090	2998	35.20
5	A	3001	2911	73.24
6	A	1654	1605	16.66
7	A	1479	1434	0.35
8	A	1417	1374	46.73
9	A	1381	1339	1.98
10	A	1367	1326	1.70
11	A	1164	1129	25.15
12	A	1106	1073	24.77
13	A	1016	985	233.59
14	A	912	884	3.42
15	A	850	825	130.73
16	A	476	462	48.13
17	A	417	405	96.06
18	A	308	299	55.98

Atom	x (Å)	y (Å)	z (Å)
N1	1.232	-0.156	-0.022
C2	-0.032	0.536	0.048
O3	-1.203	-0.263	-0.114
H4	1.260	-0.731	-0.867
H5	1.335	-0.800	0.766
H6	-0.060	1.095	1.003
H7	-0.080	1.266	-0.775
H8	-1.265	-0.848	0.657

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4425	2.4391	1.0229	1.0229	2.0701	2.0763	2.6786
C2	1.4425		1.4270	2.0280	2.0416	1.1071	1.1011	1.9509
O3	2.4391	1.4270		2.6180	2.7390	2.0971	2.0088	0.9695
H4	1.0229	2.0280	2.6180		1.6362	2.9287	2.4073	2.9520
H5	1.0229	2.0416	2.7390	1.6362		2.3652	2.9403	2.6024
H6	2.0701	1.1071	2.0971	2.9287	2.3652		1.7864	2.3117
H7	2.0763	1.1011	2.0088	2.4073	2.9403	1.7864		2.8145
H8	2.6786	1.9509	0.9695	2.9520	2.6024	2.3117	2.8145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.424	N1	C2	H6	107.851
N1	C2	H7	108.693	C2	N1	H4	109.513
C2	N1	H5	110.657	C2	O3	H8	107.450
O3	C2	H6	111.061	O3	C2	H7	104.494
H4	N1	H5	106.216	H6	C2	H7	107.994

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/cc-pVDZ

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	-0.178
2	C	0.153
3	O	-0.276
4	H	0.074
5	H	0.064
6	H	0.011
7	H	0.031
8	H	0.120

	x	y	z	Total
	0.291	-1.157	1.186	1.683
CHELPG
AIM
ESP

	x	y	z
x	3.588	-0.108	-0.110
y	-0.108	3.463	-0.177
z	-0.110	-0.177	3.435

<r²>	49.630
(<r²>)^1/2	7.045

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)