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	hartrees
Energy at 0K	-170.970214
Energy at 298.15K	-170.976744
HF Energy	-170.970214
Nuclear repulsion energy	82.508586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3885	3885	25.30
2	A	3636	3636	6.21
3	A	3548	3548	2.08
4	A	3114	3114	23.63
5	A	3039	3039	50.80
6	A	1663	1663	30.95
7	A	1504	1504	0.23
8	A	1421	1421	32.83
9	A	1386	1386	1.14
10	A	1367	1367	6.61
11	A	1166	1166	45.75
12	A	1113	1113	27.58
13	A	1023	1023	221.20
14	A	908	908	3.05
15	A	793	793	154.84
16	A	482	482	48.61
17	A	393	393	82.85
18	A	271	271	75.78

Atom	x (Å)	y (Å)	z (Å)
N1	1.219	-0.158	-0.020
C2	-0.031	0.531	0.048
O3	-1.196	-0.262	-0.115
H4	1.299	-0.699	-0.871
H5	1.366	-0.775	0.767
H6	-0.070	1.076	0.997
H7	-0.078	1.257	-0.764
H8	-1.290	-0.838	0.645

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4293	2.4197	1.0112	1.0109	2.0536	2.0590	2.6836
C2	1.4293		1.4187	2.0309	2.0437	1.0948	1.0901	1.9533
O3	2.4197	1.4187		2.6434	2.7585	2.0722	1.9949	0.9585
H4	1.0112	2.0309	2.6434		1.6411	2.9170	2.3944	3.0034
H5	1.0109	2.0437	2.7585	1.6411		2.3539	2.9259	2.6600
H6	2.0536	1.0948	2.0722	2.9170	2.3539		1.7697	2.2964
H7	2.0590	1.0901	1.9949	2.3944	2.9259	1.7697		2.8008
H8	2.6836	1.9533	0.9585	3.0034	2.6600	2.2964	2.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.338	N1	C2	H6	108.166
N1	C2	H7	108.877	C2	N1	H4	111.488
C2	N1	H5	112.626	C2	O3	H8	108.965
O3	C2	H6	110.399	O3	C2	H7	104.581
H4	N1	H5	108.502	H6	C2	H7	108.183

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: HSEh1PBE/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	-0.817
2	C	0.655
3	O	-0.590
4	H	0.185
5	H	0.179
6	H	0.099
7	H	0.097
8	H	0.193

	x	y	z	Total
	0.393	-1.026	1.249	1.663
CHELPG
AIM
ESP

	x	y	z
x	4.922	0.035	-0.057
y	0.035	4.346	-0.040
z	-0.057	-0.040	4.029

<r²>	49.616
(<r²>)^1/2	7.044

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)