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	hartrees
Energy at 0K	-171.106363
Energy at 298.15K	-171.112895
HF Energy	-171.106363
Nuclear repulsion energy	82.529544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3897	3897	25.81
2	A	3643	3643	6.22
3	A	3556	3556	2.09
4	A	3121	3121	23.66
5	A	3046	3046	50.49
6	A	1668	1668	30.92
7	A	1510	1510	0.20
8	A	1426	1426	32.20
9	A	1390	1390	1.12
10	A	1371	1371	7.14
11	A	1167	1167	44.15
12	A	1113	1113	28.64
13	A	1025	1025	221.62
14	A	910	910	3.15
15	A	795	795	155.29
16	A	482	482	48.19
17	A	392	392	83.13
18	A	271	271	76.37

Atom	x (Å)	y (Å)	z (Å)
N1	1.219	-0.158	-0.020
C2	-0.032	0.531	0.048
O3	-1.196	-0.262	-0.115
H4	1.300	-0.698	-0.870
H5	1.366	-0.775	0.766
H6	-0.071	1.074	0.996
H7	-0.078	1.256	-0.763
H8	-1.292	-0.836	0.645

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4297	2.4199	1.0103	1.0100	2.0530	2.0581	2.6848
C2	1.4297		1.4184	2.0307	2.0434	1.0935	1.0888	1.9528
O3	2.4199	1.4184		2.6439	2.7579	2.0706	1.9940	0.9576
H4	1.0103	2.0307	2.6439		1.6395	2.9154	2.3931	3.0055
H5	1.0100	2.0434	2.7579	1.6395		2.3536	2.9242	2.6613
H6	2.0530	1.0935	2.0706	2.9154	2.3536		1.7678	2.2942
H7	2.0581	1.0888	1.9940	2.3931	2.9242	1.7678		2.7990
H8	2.6848	1.9528	0.9576	3.0055	2.6613	2.2942	2.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.344	N1	C2	H6	108.167
N1	C2	H7	108.859	C2	N1	H4	111.501
C2	N1	H5	112.633	C2	O3	H8	109.003
O3	C2	H6	110.372	O3	C2	H7	104.601
H4	N1	H5	108.490	H6	C2	H7	108.204

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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	-0.813
2	C	0.687
3	O	-0.587
4	H	0.180
5	H	0.174
6	H	0.090
7	H	0.085
8	H	0.186

	x	y	z	Total
	0.391	-1.024	1.252	1.664
CHELPG
AIM
ESP

	x	y	z
x	4.885	0.032	-0.055
y	0.032	4.308	-0.042
z	-0.055	-0.042	4.002

<r²>	49.573
(<r²>)^1/2	7.041

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: mPW1PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)