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	hartrees
Energy at 0K	-170.156296
Energy at 298.15K	-170.162967
HF Energy	-170.156296
Nuclear repulsion energy	83.217294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4167	3777	44.68
2	A	3817	3460	4.91
3	A	3733	3384	2.42
4	A	3254	2950	42.03
5	A	3181	2883	71.35
6	A	1801	1632	33.49
7	A	1642	1488	0.15
8	A	1551	1406	49.67
9	A	1504	1363	0.03
10	A	1486	1347	13.95
11	A	1245	1129	51.36
12	A	1180	1070	62.55
13	A	1132	1026	223.33
14	A	982	890	2.90
15	A	891	808	148.61
16	A	521	472	47.05
17	A	396	359	93.08
18	A	286	259	85.83

Atom	x (Å)	y (Å)	z (Å)
N1	1.211	-0.158	-0.017
C2	-0.038	0.533	0.047
O3	-1.180	-0.265	-0.114
H4	1.299	-0.681	-0.862
H5	1.350	-0.774	0.756
H6	-0.084	1.068	0.988
H7	-0.079	1.253	-0.755
H8	-1.290	-0.835	0.625

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4293	2.3961	0.9974	0.9973	2.0472	2.0502	2.6695
C2	1.4293		1.4024	2.0217	2.0337	1.0840	1.0791	1.9417
O3	2.3961	1.4024		2.6231	2.7234	2.0483	1.9822	0.9395
H4	0.9974	2.0217	2.6231		1.6207	2.8972	2.3774	2.9898
H5	0.9973	2.0337	2.7234	1.6207		2.3455	2.9041	2.6437
H6	2.0472	1.0840	2.0483	2.8972	2.3455		1.7534	2.2819
H7	2.0502	1.0791	1.9822	2.3774	2.9041	1.7534		2.7803
H8	2.6695	1.9417	0.9395	2.9898	2.6437	2.2819	2.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	115.593	N1	C2	H6	108.304
N1	C2	H7	108.833	C2	N1	H4	111.599
C2	N1	H5	112.657	C2	O3	H8	110.456
O3	C2	H6	110.275	O3	C2	H7	105.286
H4	N1	H5	108.684	H6	C2	H7	108.313

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HF/Def2TZVPP

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	-0.412
2	C	0.277
3	O	-0.425
4	H	0.147
5	H	0.130
6	H	0.042
7	H	0.047
8	H	0.192

	x	y	z	Total
	0.297	-1.071	1.301	1.711
CHELPG
AIM
ESP

	x	y	z
x	3.841	-0.046	-0.055
y	-0.046	3.629	-0.096
z	-0.055	-0.096	3.552

<r²>	48.817
(<r²>)^1/2	6.987

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)