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	hartrees
Energy at 0K	-170.968391
Energy at 298.15K	-170.974964
HF Energy	-170.968391
Nuclear repulsion energy	81.573270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3574	2.70
2	A	3487	3418	0.55
3	A	3393	3326	2.47
4	A	3069	3009	38.90
5	A	2970	2912	79.27
6	A	1680	1648	19.83
7	A	1497	1467	0.21
8	A	1416	1388	45.04
9	A	1381	1354	1.62
10	A	1366	1339	1.22
11	A	1156	1133	15.70
12	A	1085	1063	22.93
13	A	968	949	263.06
14	A	903	885	4.07
15	A	842	826	147.33
16	A	466	457	52.00
17	A	429	420	112.10
18	A	311	305	59.86

Atom	x (Å)	y (Å)	z (Å)
N1	1.241	-0.158	-0.022
C2	-0.028	0.536	0.048
O3	-1.214	-0.262	-0.116
H4	1.264	-0.730	-0.869
H5	1.342	-0.801	0.767
H6	-0.055	1.090	1.003
H7	-0.076	1.260	-0.776
H8	-1.278	-0.837	0.669

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4485	2.4591	1.0226	1.0228	2.0707	2.0763	2.6985
C2	1.4485		1.4388	2.0288	2.0448	1.1042	1.0974	1.9572
O3	2.4591	1.4388		2.6321	2.7570	2.1034	2.0117	0.9745
H4	1.0226	2.0288	2.6321		1.6395	2.9255	2.4007	2.9725
H5	1.0228	2.0448	2.7570	1.6395		2.3625	2.9383	2.6213
H6	2.0707	1.1042	2.1034	2.9255	2.3625		1.7869	2.3067
H7	2.0763	1.0974	2.0117	2.4007	2.9383	1.7869		2.8153
H8	2.6985	1.9572	0.9745	2.9725	2.6213	2.3067	2.8153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.795	N1	C2	H6	107.658
N1	C2	H7	108.490	C2	N1	H4	109.158
C2	N1	H5	110.481	C2	O3	H8	106.812
O3	C2	H6	110.932	O3	C2	H7	104.159
H4	N1	H5	106.554	H6	C2	H7	108.514

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/6-31G*

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	-0.680
2	C	0.008
3	O	-0.589
4	H	0.302
5	H	0.288
6	H	0.138
7	H	0.165
8	H	0.368

	x	y	z	Total
	0.237	-1.265	1.265	1.805
CHELPG
AIM
ESP

	x	y	z
x	3.585	-0.115	-0.096
y	-0.115	3.322	-0.191
z	-0.096	-0.191	3.402

<r²>	50.062
(<r²>)^1/2	7.075

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)