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	hartrees
Energy at 0K	-171.101025
Energy at 298.15K	-171.107541
HF Energy	-171.101025
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3891	3722	24.62
2	A	3634	3477	5.28
3	A	3548	3394	2.10
4	A	3133	2997	24.26
5	A	3054	2922	50.76
6	A	1669	1596	30.16
7	A	1523	1457	0.23
8	A	1433	1370	33.27
9	A	1390	1330	2.72
10	A	1370	1311	5.42
11	A	1170	1119	40.83
12	A	1116	1068	32.74
13	A	1026	981	222.38
14	A	924	884	4.38
15	A	798	763	149.31
16	A	485	464	46.21
17	A	378	362	85.91
18	A	260	249	71.69

Atom	x (Å)	y (Å)	z (Å)
N1	1.221	-0.159	-0.018
C2	-0.032	0.533	0.049
O3	-1.197	-0.263	-0.117
H4	1.304	-0.687	-0.876
H5	1.358	-0.786	0.761
H6	-0.073	1.071	1.000
H7	-0.076	1.261	-0.759
H8	-1.289	-0.841	0.641

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4335	2.4224	1.0103	1.0100	2.0555	2.0610	2.6838
C2	1.4335		1.4208	2.0327	2.0450	1.0931	1.0882	1.9547
O3	2.4224	1.4208		2.6484	2.7520	2.0710	1.9980	0.9578
H4	1.0103	2.0327	2.6484		1.6408	2.9166	2.3907	3.0088
H5	1.0100	2.0450	2.7520	1.6408		2.3567	2.9256	2.6507
H6	2.0555	1.0931	2.0710	2.9166	2.3567		1.7693	2.2941
H7	2.0610	1.0882	1.9980	2.3907	2.9256	1.7693		2.8022
H8	2.6838	1.9547	0.9578	3.0088	2.6507	2.2941	2.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.138	N1	C2	H6	108.130
N1	C2	H7	108.864	C2	N1	H4	111.387
C2	N1	H5	112.473	C2	O3	H8	108.968
O3	C2	H6	110.254	O3	C2	H7	104.791
H4	N1	H5	108.619	H6	C2	H7	108.408

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: wB97X-D/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	-0.399
2	C	-0.074
3	O	-0.494
4	H	0.088
5	H	0.083
6	H	0.315
7	H	0.334
8	H	0.146

	x	y	z	Total
	0.362	-1.011	1.224	1.629
CHELPG
AIM
ESP

	x	y	z
x	4.970	0.056	-0.058
y	0.056	4.476	-0.038
z	-0.058	-0.038	4.170

<r²>	49.629
(<r²>)^1/2	7.045

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)