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	hartrees
Energy at 0K	-171.053146
Energy at 298.15K	-171.059556
HF Energy	-171.053146
Nuclear repulsion energy	80.879760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3648	3641	11.51
2	A	3472	3466	1.92
3	A	3385	3379	1.94
4	A	3038	3033	23.28
5	A	2962	2956	49.81
6	A	1604	1601	22.63
7	A	1433	1430	0.26
8	A	1359	1357	27.09
9	A	1331	1328	2.76
10	A	1302	1299	3.10
11	A	1113	1111	31.49
12	A	1052	1050	29.03
13	A	890	888	234.36
14	A	877	875	1.21
15	A	752	750	145.96
16	A	450	449	41.27
17	A	388	387	75.70
18	A	260	259	67.80

Atom	x (Å)	y (Å)	z (Å)
N1	1.245	-0.164	-0.020
C2	-0.021	0.541	0.049
O3	-1.229	-0.265	-0.119
H4	1.321	-0.716	-0.880
H5	1.386	-0.794	0.777
H6	-0.061	1.090	1.010
H7	-0.073	1.263	-0.784
H8	-1.336	-0.824	0.674

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4510	2.4782	1.0252	1.0250	2.0826	2.0876	2.7533
C2	1.4510		1.4615	2.0597	2.0714	1.1075	1.1031	1.9961
O3	2.4782	1.4615		2.6986	2.8139	2.1148	2.0278	0.9763
H4	1.0252	2.0597	2.6986		1.6604	2.9564	2.4219	3.0798
H5	1.0250	2.0714	2.8139	1.6604		2.3860	2.9653	2.7239
H6	2.0826	1.1075	2.1148	2.9564	2.3860		1.8022	2.3241
H7	2.0876	1.1031	2.0278	2.4219	2.9653	1.8022		2.8420
H8	2.7533	1.9961	0.9763	3.0798	2.7239	2.3241	2.8420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.618	N1	C2	H6	108.222
N1	C2	H7	108.875	C2	N1	H4	111.404
C2	N1	H5	112.427	C2	O3	H8	108.282
O3	C2	H6	110.049	O3	C2	H7	103.620
H4	N1	H5	108.165	H6	C2	H7	109.226

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: BLYP/aug-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	0.078
2	C	1.233
3	O	-0.343
4	H	-0.104
5	H	-0.122
6	H	-0.373
7	H	-0.424
8	H	0.054

	x	y	z	Total
	0.477	-0.897	1.219	1.587
CHELPG
AIM
ESP

	x	y	z
x	5.748	0.094	-0.085
y	0.094	4.892	-0.045
z	-0.085	-0.045	4.525

<r²>	51.592
(<r²>)^1/2	7.183

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)