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	hartrees
Energy at 0K	-170.910866
Energy at 298.15K	-170.917455
HF Energy	-170.910866
Nuclear repulsion energy	81.607104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3603	1.52
2	A	3491	3455	0.61
3	A	3407	3371	2.80
4	A	3042	3010	33.51
5	A	2946	2915	74.27
6	A	1673	1656	31.03
7	A	1460	1444	0.28
8	A	1396	1381	38.56
9	A	1363	1349	2.44
10	A	1346	1332	0.62
11	A	1146	1134	23.31
12	A	1082	1071	24.20
13	A	961	951	253.09
14	A	895	886	3.28
15	A	817	809	168.55
16	A	465	460	55.60
17	A	437	432	118.29
18	A	320	317	67.82

Atom	x (Å)	y (Å)	z (Å)
N1	1.237	-0.158	-0.023
C2	-0.028	0.534	0.047
O3	-1.214	-0.262	-0.114
H4	1.276	-0.730	-0.871
H5	1.365	-0.785	0.775
H6	-0.053	1.091	1.003
H7	-0.078	1.260	-0.777
H8	-1.285	-0.839	0.667

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4438	2.4552	1.0230	1.0230	2.0680	2.0758	2.7022
C2	1.4438		1.4376	2.0349	2.0518	1.1061	1.0994	1.9622
O3	2.4552	1.4376		2.6444	2.7783	2.1041	2.0108	0.9740
H4	1.0230	2.0349	2.6444		1.6496	2.9310	2.4083	2.9894
H5	1.0230	2.0518	2.7783	1.6496		2.3622	2.9449	2.6534
H6	2.0680	1.1061	2.1041	2.9310	2.3622		1.7880	2.3149
H7	2.0758	1.0994	2.0108	2.4083	2.9449	1.7880		2.8189
H8	2.7022	1.9622	0.9740	2.9894	2.6534	2.3149	2.8189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.879	N1	C2	H6	107.647
N1	C2	H7	108.657	C2	N1	H4	109.983
C2	N1	H5	111.420	C2	O3	H8	107.350
O3	C2	H6	110.952	O3	C2	H7	104.066
H4	N1	H5	107.464	H6	C2	H7	108.326

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-311G*

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	-0.700
2	C	-0.159
3	O	-0.517
4	H	0.310
5	H	0.298
6	H	0.199
7	H	0.222
8	H	0.347

	x	y	z	Total
	0.333	-1.270	1.341	1.877
CHELPG
AIM
ESP

	x	y	z
x	4.019	-0.065	-0.128
y	-0.065	3.644	-0.179
z	-0.128	-0.179	3.610

<r²>	50.327
(<r²>)^1/2	7.094

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)