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	hartrees
Energy at 0K	-170.987575
Energy at 298.15K	-170.994158
HF Energy	-170.987575
Nuclear repulsion energy	81.583898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3640	6.26
2	A	3466	3437	0.44
3	A	3383	3354	2.60
4	A	3038	3012	38.54
5	A	2940	2915	81.79
6	A	1630	1616	13.41
7	A	1448	1436	0.41
8	A	1390	1378	44.55
9	A	1357	1345	1.52
10	A	1340	1328	1.13
11	A	1144	1135	17.68
12	A	1082	1073	21.16
13	A	966	958	245.20
14	A	897	889	3.91
15	A	839	831	119.68
16	A	468	464	48.58
17	A	421	417	92.69
18	A	313	310	47.74

Atom	x (Å)	y (Å)	z (Å)
N1	1.240	-0.156	-0.024
C2	-0.029	0.537	0.048
O3	-1.211	-0.262	-0.114
H4	1.250	-0.744	-0.866
H5	1.329	-0.806	0.766
H6	-0.053	1.099	1.007
H7	-0.079	1.267	-0.780
H8	-1.258	-0.848	0.663

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4476	2.4550	1.0268	1.0268	2.0756	2.0830	2.6807
C2	1.4476		1.4364	2.0277	2.0408	1.1117	1.1050	1.9510
O3	2.4550	1.4364		2.6186	2.7426	2.1096	2.0163	0.9736
H4	1.0268	2.0277	2.6186		1.6350	2.9326	2.4125	2.9389
H5	1.0268	2.0408	2.7426	1.6350		2.3660	2.9452	2.5888
H6	2.0756	1.1117	2.1096	2.9326	2.3660		1.7947	2.3152
H7	2.0830	1.1050	2.0163	2.4125	2.9452	1.7947		2.8186
H8	2.6807	1.9510	0.9736	2.9389	2.5888	2.3152	2.8186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.694	N1	C2	H6	107.671
N1	C2	H7	108.641	C2	N1	H4	108.877
C2	N1	H5	109.963	C2	O3	H8	106.515
O3	C2	H6	111.134	O3	C2	H7	104.253
H4	N1	H5	105.533	H6	C2	H7	108.120

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/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	-0.172
2	C	0.147
3	O	-0.271
4	H	0.072
5	H	0.062
6	H	0.012
7	H	0.031
8	H	0.118

	x	y	z	Total
	0.289	-1.150	1.152	1.654
CHELPG
AIM
ESP

	x	y	z
x	3.752	-0.109	-0.114
y	-0.109	3.561	-0.172
z	-0.114	-0.172	3.504

<r²>	49.909
(<r²>)^1/2	7.065

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)