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	hartrees
Energy at 0K	-170.024360
Energy at 298.15K	-170.030840
HF Energy	-170.024360
Nuclear repulsion energy	80.191303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3463	3463	0.27
2	A	3363	3363	8.34
3	A	3356	3356	2.53
4	A	3076	3076	32.36
5	A	2962	2962	81.47
6	A	1703	1703	19.10
7	A	1514	1514	0.50
8	A	1402	1402	21.06
9	A	1382	1382	2.41
10	A	1353	1353	2.52
11	A	1149	1149	17.81
12	A	1064	1064	34.85
13	A	885	885	13.11
14	A	877	877	156.72
15	A	650	650	234.63
16	A	450	450	74.24
17	A	427	427	142.68
18	A	326	326	67.67

Atom	x (Å)	y (Å)	z (Å)
N1	1.250	-0.171	-0.027
C2	-0.015	0.541	0.052
O3	-1.259	-0.256	-0.114
H4	1.348	-0.704	-0.898
H5	1.441	-0.769	0.785
H6	-0.020	1.097	1.005
H7	-0.071	1.253	-0.778
H8	-1.288	-0.881	0.669

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4536	2.5116	1.0265	1.0269	2.0700	2.0820	2.7264
C2	1.4536		1.4857	2.0762	2.0914	1.1035	1.0952	2.0059
O3	2.5116	1.4857		2.7587	2.8913	2.1483	2.0315	1.0029
H4	1.0265	2.0762	2.7587		1.6876	2.9560	2.4198	3.0723
H5	1.0269	2.0914	2.8913	1.6876		2.3803	2.9695	2.7341
H6	2.0700	1.1035	2.1483	2.9560	2.3803		1.7907	2.3738
H7	2.0820	1.0952	2.0315	2.4198	2.9695	1.7907		2.8516
H8	2.7264	2.0059	1.0029	3.0723	2.7341	2.3738	2.8516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.400	N1	C2	H6	107.300
N1	C2	H7	108.727	C2	N1	H4	112.537
C2	N1	H5	113.837	C2	O3	H8	105.783
O3	C2	H6	111.286	O3	C2	H7	102.788
H4	N1	H5	110.543	H6	C2	H7	109.062

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/3-21G*

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	-0.671
2	C	-0.071
3	O	-0.534
4	H	0.279
5	H	0.268
6	H	0.190
7	H	0.228
8	H	0.311

	x	y	z	Total
	0.699	-1.347	1.306	2.002
CHELPG
AIM
ESP

	x	y	z
x	3.320	-0.098	-0.090
y	-0.098	2.862	-0.267
z	-0.090	-0.267	3.086

<r²>	51.540
(<r²>)^1/2	7.179

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)