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	hartrees
Energy at 0K	-171.051696
Energy at 298.15K	-171.058192
HF Energy	-171.051696
Nuclear repulsion energy	81.737493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3727	3675	9.11
2	A	3515	3466	0.44
3	A	3428	3380	1.24
4	A	3041	2999	32.86
5	A	2960	2919	66.85
6	A	1638	1615	20.89
7	A	1472	1451	0.04
8	A	1391	1372	32.86
9	A	1360	1341	1.74
10	A	1341	1322	2.43
11	A	1139	1123	20.72
12	A	1067	1052	25.82
13	A	939	926	240.69
14	A	893	881	3.66
15	A	798	787	149.97
16	A	468	461	42.88
17	A	396	391	85.88
18	A	274	270	60.35

Atom	x (Å)	y (Å)	z (Å)
N1	1.236	-0.160	-0.022
C2	-0.027	0.536	0.047
O3	-1.214	-0.262	-0.115
H4	1.283	-0.723	-0.867
H5	1.358	-0.785	0.769
H6	-0.058	1.085	0.999
H7	-0.075	1.258	-0.773
H8	-1.287	-0.837	0.658

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4436	2.4540	1.0163	1.0162	2.0658	2.0721	2.6992
C2	1.4436		1.4398	2.0336	2.0458	1.0991	1.0936	1.9613
O3	2.4540	1.4398		2.6480	2.7696	2.0953	2.0099	0.9661
H4	1.0163	2.0336	2.6480		1.6391	2.9238	2.4035	2.9898
H5	1.0162	2.0458	2.7696	1.6391		2.3573	2.9339	2.6474
H6	2.0658	1.0991	2.0953	2.9238	2.3573		1.7805	2.3065
H7	2.0721	1.0936	2.0099	2.4035	2.9339	1.7805		2.8115
H8	2.6992	1.9613	0.9661	2.9898	2.6474	2.3065	2.8115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.662	N1	C2	H6	107.911
N1	C2	H7	108.722	C2	N1	H4	110.316
C2	N1	H5	111.362	C2	O3	H8	107.580
O3	C2	H6	110.516	O3	C2	H7	104.165
H4	N1	H5	107.499	H6	C2	H7	108.589

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B97D3/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	-0.289
2	C	0.069
3	O	-0.330
4	H	0.127
5	H	0.116
6	H	0.052
7	H	0.080
8	H	0.174

	x	y	z	Total
	0.381	-1.057	1.186	1.634
CHELPG
AIM
ESP

	x	y	z
x	4.473	-0.060	-0.104
y	-0.060	4.049	-0.130
z	-0.104	-0.130	3.913

<r²>	50.143
(<r²>)^1/2	7.081

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)